(1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C144H150F5N33O16 — CID 157447043

IUPAC(1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cnc4n([C@@H]5CCOC[C@@H]5F)cccc3-4)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cnc4n([C@H]5CCOC[C@H]5F)cccc3-4)nc12.CN(Cc1ccccc1)c1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CN(Cc1ccccc1)c1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)O)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)NC3CC[C@H]3O)cnn12.NC1CC[C@H]1O
InChIInChI=1S/C31H32FN7O3.2C29H29FN6O3.C27H25FN6O3.C24H26FN7O3.C4H9NO/c1-37(17-19-6-3-2-4-7-19)28-14-25(35-30-22(16-34-39(28)30)31(41)36-24-9-10-27(24)40)21-15-33-29-20(21)8-5-12-38(29)26-11-13-42-18-23(26)32;2*1-3-39-29(37)22-16-32-36-26(34(2)17-19-8-5-4-6-9-19)14-24(33-28(22)36)21-15-31-27-20(21)10-7-12-35(27)25-11-13-38-18-23(25)30;1-32(15-17-6-3-2-4-7-17)24-12-22(31-26-20(27(35)36)14-30-34(24)26)19-13-29-25-18(19)8-5-10-33(25)23-9-11-37-16-21(23)28;1-26-21-9-18(29-23-15(11-28-32(21)23)24(34)30-17-4-5-20(17)33)14-10-27-22-13(14)3-2-7-31(22)19-6-8-35-12-16(19)25;5-3-1-2-4(3)6/h2-8,12,14-16,23-24,26-27,40H,9-11,13,17-18H2,1H3,(H,36,41);2*4-10,12,14-16,23,25H,3,11,13,17-18H2,1-2H3;2-8,10,12-14,21,23H,9,11,15-16H2,1H3,(H,35,36);2-3,7,9-11,16-17,19-20,26,33H,4-6,8,12H2,1H3,(H,30,34);3-4,6H,1-2,5H2/t23-,24?,26+,27+;2*23-,25+;21-,23+;16-,17?,19+,20+;3?,4-/m010001/s1
InChIKeyBSIQORQJDLSPPB-BQHHBGAQSA-N
MW2693.99 g/mol
LogP19.60
Rot. Bonds32

About (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

(1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157447043) has the molecular formula C144H150F5N33O16 and a molecular weight of 2693.99 g/mol. Its IUPAC name is (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157447043
Molecular FormulaC144H150F5N33O16
Molecular Weight2693.99 g/mol
Exact Mass2692.19
IUPAC Name(1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cnc4n([C@@H]5CCOC[C@@H]5F)cccc3-4)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cnc4n([C@H]5CCOC[C@H]5F)cccc3-4)nc12.CN(Cc1ccccc1)c1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CN(Cc1ccccc1)c1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)O)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)NC3CC[C@H]3O)cnn12.NC1CC[C@H]1O
InChIInChI=1S/C31H32FN7O3.2C29H29FN6O3.C27H25FN6O3.C24H26FN7O3.C4H9NO/c1-37(17-19-6-3-2-4-7-19)28-14-25(35-30-22(16-34-39(28)30)31(41)36-24-9-10-27(24)40)21-15-33-29-20(21)8-5-12-38(29)26-11-13-42-18-23(26)32;2*1-3-39-29(37)22-16-32-36-26(34(2)17-19-8-5-4-6-9-19)14-24(33-28(22)36)21-15-31-27-20(21)10-7-12-35(27)25-11-13-38-18-23(25)30;1-32(15-17-6-3-2-4-7-17)24-12-22(31-26-20(27(35)36)14-30-34(24)26)19-13-29-25-18(19)8-5-10-33(25)23-9-11-37-16-21(23)28;1-26-21-9-18(29-23-15(11-28-32(21)23)24(34)30-17-4-5-20(17)33)14-10-27-22-13(14)3-2-7-31(22)19-6-8-35-12-16(19)25;5-3-1-2-4(3)6/h2-8,12,14-16,23-24,26-27,40H,9-11,13,17-18H2,1H3,(H,36,41);2*4-10,12,14-16,23,25H,3,11,13,17-18H2,1-2H3;2-8,10,12-14,21,23H,9,11,15-16H2,1H3,(H,35,36);2-3,7,9-11,16-17,19-20,26,33H,4-6,8,12H2,1H3,(H,30,34);3-4,6H,1-2,5H2/t23-,24?,26+,27+;2*23-,25+;21-,23+;16-,17?,19+,20+;3?,4-/m010001/s1
InChIKeyBSIQORQJDLSPPB-BQHHBGAQSA-N
XLogP19.60
TPSA546.00 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds32
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002693.99
LogP ≤ 519.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Analyze (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[benzyl(methyl)amino]-5-[1-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-(2-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560091
7-[benzyl(methyl)amino]-5-[1-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486163
8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 157210328
7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158589366
CID 158635466
CID 158635466
(3S,4S)-4-aminooxolan-3-ol;7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate)
CID 158830371
CID 161342086
CID 161342086
sodium;5-[2-[2-[(3R)-3-aminobutyl]phenyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]phenyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-(3-methylbutyl)phenyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane;(15R)-15-methyl-2,6,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18(25),19,22-heptaen-17-one;2,2,2-trifluoroacetaldehyde;hydroxide
CID 161553886
(2S)-2-aminochloranuidyl-1,1-difluorocyclobutane;N-(2,2-difluorocyclobutyl)-8-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-(2,2-difluorocyclobutyl)-13-[(4-methoxyphenyl)methyl]-8-[1-(3-methylcyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;13-[(4-methoxyphenyl)methyl]-8-[1-(3-methylcyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid
CID 161734367
N-(2,2-difluorocyclobutyl)-5-[1-[(3S,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[1-[(3R,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167539866
CID 167552581
CID 167552581
N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167565769

Frequently Asked Questions

What is the IUPAC name of (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157447043) is (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cnc4n([C@@H]5CCOC[C@@H]5F)cccc3-4)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cnc4n([C@H]5CCOC[C@H]5F)cccc3-4)nc12.CN(Cc1ccccc1)c1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CN(Cc1ccccc1)c1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)O)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@@H]4F)cccc2-3)nc2c(C(=O)NC3CC[C@H]3O)cnn12.NC1CC[C@H]1O.
What is the InChIKey of (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BSIQORQJDLSPPB-BQHHBGAQSA-N. The full InChI is InChI=1S/C31H32FN7O3.2C29H29FN6O3.C27H25FN6O3.C24H26FN7O3.C4H9NO/c1-37(17-19-6-3-2-4-7-19)28-14-25(35-30-22(16-34-39(28)30)31(41)36-24-9-10-27(24)40)21-15-33-29-20(21)8-5-12-38(29)26-11-13-42-18-23(26)32;2*1-3-39-29(37)22-16-32-36-26(34(2)17-19-8-5-4-6-9-19)14-24(33-28(22)36)21-15-31-27-20(21)10-7-12-35(27)25-11-13-38-18-23(25)30;1-32(15-17-6-3-2-4-7-17)24-12-22(31-26-20(27(35)36)14-30-34(24)26)19-13-29-25-18(19)8-5-10-33(25)23-9-11-37-16-21(23)28;1-26-21-9-18(29-23-15(11-28-32(21)23)24(34)30-17-4-5-20(17)33)14-10-27-22-13(14)3-2-7-31(22)19-6-8-35-12-16(19)25;5-3-1-2-4(3)6/h2-8,12,14-16,23-24,26-27,40H,9-11,13,17-18H2,1H3,(H,36,41);2*4-10,12,14-16,23,25H,3,11,13,17-18H2,1-2H3;2-8,10,12-14,21,23H,9,11,15-16H2,1H3,(H,35,36);2-3,7,9-11,16-17,19-20,26,33H,4-6,8,12H2,1H3,(H,30,34);3-4,6H,1-2,5H2/t23-,24?,26+,27+;2*23-,25+;21-,23+;16-,17?,19+,20+;3?,4-/m010001/s1.
What are the key properties of (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
(1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2693.99 g/mol, XLogP of 19.60, 32 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157447043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).