bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C130H139F5N40O21 — CID 157142516

IUPACbis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CO[C@H]1CC[C@@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12
InChIInChI=1S/3C28H31FN8O5.2C23H23FN8O3/c3*1-28(2,3)42-27(40)35(4)22-14-21(32-19-9-7-13-36(26(19)39)24-17(29)8-6-12-30-24)34-23-16(15-31-37(22)23)25(38)33-18-10-11-20(18)41-5;2*1-25-19-11-18(28-16-6-4-10-31(23(16)34)21-14(24)5-3-9-26-21)30-20-13(12-27-32(19)20)22(33)29-15-7-8-17(15)35-2/h3*6-9,12-15,18,20H,10-11H2,1-5H3,(H,32,34)(H,33,38);2*3-6,9-12,15,17,25H,7-8H2,1-2H3,(H,28,30)(H,29,33)/t3*18-,20-;2*15-,17-/m11010/s1
InChIKeyAKIQOTLBRYMRMJ-CRSDIHORSA-N
MW2692.79 g/mol
LogP14.52
Rot. Bonds35

About bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157142516) has the molecular formula C130H139F5N40O21 and a molecular weight of 2692.79 g/mol. Its IUPAC name is bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Namebis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157142516
Molecular FormulaC130H139F5N40O21
Molecular Weight2692.79 g/mol
Exact Mass2691.10
IUPAC Namebis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CO[C@H]1CC[C@@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12
InChIInChI=1S/3C28H31FN8O5.2C23H23FN8O3/c3*1-28(2,3)42-27(40)35(4)22-14-21(32-19-9-7-13-36(26(19)39)24-17(29)8-6-12-30-24)34-23-16(15-31-37(22)23)25(38)33-18-10-11-20(18)41-5;2*1-25-19-11-18(28-16-6-4-10-31(23(16)34)21-14(24)5-3-9-26-21)30-20-13(12-27-32(19)20)22(33)29-15-7-8-17(15)35-2/h3*6-9,12-15,18,20H,10-11H2,1-5H3,(H,32,34)(H,33,38);2*3-6,9-12,15,17,25H,7-8H2,1-2H3,(H,28,30)(H,29,33)/t3*18-,20-;2*15-,17-/m11010/s1
InChIKeyAKIQOTLBRYMRMJ-CRSDIHORSA-N
XLogP14.52
TPSA689.88 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds35
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002692.79
LogP ≤ 514.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-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

tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137449301
tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450381
tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457412
tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 139373475
tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-(2-methylpropyl)piperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;hydrochloride
CID 157440497
Tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde
CID 158372172
2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158684303
2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159948364
N-(1-cyclopropylethyl)-5-(3,3-difluoropiperidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-5-ethyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-7-ethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-7-methyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-cyclopropylpropan-2-yl)-7-methyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163502094
5-(2-cyano-3-pyridinyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2-cyano-3-pyridinyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(6-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3,4,4-trimethyl-2-oxoimidazolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164159125
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
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 bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157142516) is bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CO[C@H]1CC[C@@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.
What is the InChIKey of bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AKIQOTLBRYMRMJ-CRSDIHORSA-N. The full InChI is InChI=1S/3C28H31FN8O5.2C23H23FN8O3/c3*1-28(2,3)42-27(40)35(4)22-14-21(32-19-9-7-13-36(26(19)39)24-17(29)8-6-12-30-24)34-23-16(15-31-37(22)23)25(38)33-18-10-11-20(18)41-5;2*1-25-19-11-18(28-16-6-4-10-31(23(16)34)21-14(24)5-3-9-26-21)30-20-13(12-27-32(19)20)22(33)29-15-7-8-17(15)35-2/h3*6-9,12-15,18,20H,10-11H2,1-5H3,(H,32,34)(H,33,38);2*3-6,9-12,15,17,25H,7-8H2,1-2H3,(H,28,30)(H,29,33)/t3*18-,20-;2*15-,17-/m11010/s1.
What are the key properties of bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2692.79 g/mol, XLogP of 14.52, 35 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157142516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).