3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C79H104ClN21O16 — CID 159036443

IUPAC3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@H]3CCCCO3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn([C@H]3CCCCO3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.Nc1cccn([C@H]2CCCCO2)c1=O
InChIInChI=1S/C28H37N7O6.C23H29N7O4.C18H24ClN5O4.C10H14N2O2/c1-28(2,3)41-27(39)33(4)22-15-21(31-20-8-7-12-34(26(20)38)23-9-5-6-13-40-23)32-24-19(16-29-35(22)24)25(37)30-17-10-11-18(36)14-17;1-24-19-12-18(27-17-5-4-9-29(23(17)33)20-6-2-3-10-34-20)28-21-16(13-25-30(19)21)22(32)26-14-7-8-15(31)11-14;1-18(2,3)28-17(27)23(4)14-8-13(19)22-15-12(9-20-24(14)15)16(26)21-10-5-6-11(25)7-10;11-8-4-3-6-12(10(8)13)9-5-1-2-7-14-9/h7-8,12,15-18,23,36H,5-6,9-11,13-14H2,1-4H3,(H,30,37)(H,31,32);4-5,9,12-15,20,24,31H,2-3,6-8,10-11H2,1H3,(H,26,32)(H,27,28);8-11,25H,5-7H2,1-4H3,(H,21,26);3-4,6,9H,1-2,5,7,11H2/t17?,18-,23-;14?,15-,20-;10?,11-;9-/m1111/s1
InChIKeyJVNAEYRUSXCBQH-RNURAGQGSA-N
MW1639.28 g/mol
LogP8.89
Rot. Bonds16

About 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159036443) has the molecular formula C79H104ClN21O16 and a molecular weight of 1639.28 g/mol. Its IUPAC name is 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159036443
Molecular FormulaC79H104ClN21O16
Molecular Weight1639.28 g/mol
Exact Mass1637.77
IUPAC Name3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@H]3CCCCO3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn([C@H]3CCCCO3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.Nc1cccn([C@H]2CCCCO2)c1=O
InChIInChI=1S/C28H37N7O6.C23H29N7O4.C18H24ClN5O4.C10H14N2O2/c1-28(2,3)41-27(39)33(4)22-15-21(31-20-8-7-12-34(26(20)38)23-9-5-6-13-40-23)32-24-19(16-29-35(22)24)25(37)30-17-10-11-18(36)14-17;1-24-19-12-18(27-17-5-4-9-29(23(17)33)20-6-2-3-10-34-20)28-21-16(13-25-30(19)21)22(32)26-14-7-8-15(31)11-14;1-18(2,3)28-17(27)23(4)14-8-13(19)22-15-12(9-20-24(14)15)16(26)21-10-5-6-11(25)7-10;11-8-4-3-6-12(10(8)13)9-5-1-2-7-14-9/h7-8,12,15-18,23,36H,5-6,9-11,13-14H2,1-4H3,(H,30,37)(H,31,32);4-5,9,12-15,20,24,31H,2-3,6-8,10-11H2,1H3,(H,26,32)(H,27,28);8-11,25H,5-7H2,1-4H3,(H,21,26);3-4,6,9H,1-2,5,7,11H2/t17?,18-,23-;14?,15-,20-;10?,11-;9-/m1111/s1
InChIKeyJVNAEYRUSXCBQH-RNURAGQGSA-N
XLogP8.89
TPSA453.44 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001639.28
LogP ≤ 58.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

bis(3-amino-1-[(3S,4S)-3-methoxyoxan-4-yl]pyridin-2-one);3-amino-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[(2,2-difluorocyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(2,2-difluorocyclobutyl)carbamoyl]-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161210319
tert-butyl N-[3-[[(3R)-3-[4-[4-[3-[[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]oxan-3-yl]butoxy]cyclopentyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450975
bis(3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one);tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride
CID 157147280
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1R,3R)-3-aminochloranuidylcyclopentan-1-ol
CID 157166514
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1R,3R)-3-aminochloranuidylcyclopentan-1-ol
CID 157166515
5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157235632
3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine
CID 157493345
tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-3-[[(2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]methanimidoyl iodide
CID 157529249
3-amino-1-propan-2-ylpyridin-2-one;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-amino-1-methylcyclobutan-1-ol
CID 157621773
3-amino-1-[1-(2-isocyanoethyl)piperidin-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157826941
3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158243707
3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158450051

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159036443) is 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@H]3CCCCO3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn([C@H]3CCCCO3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.Nc1cccn([C@H]2CCCCO2)c1=O.
What is the InChIKey of 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JVNAEYRUSXCBQH-RNURAGQGSA-N. The full InChI is InChI=1S/C28H37N7O6.C23H29N7O4.C18H24ClN5O4.C10H14N2O2/c1-28(2,3)41-27(39)33(4)22-15-21(31-20-8-7-12-34(26(20)38)23-9-5-6-13-40-23)32-24-19(16-29-35(22)24)25(37)30-17-10-11-18(36)14-17;1-24-19-12-18(27-17-5-4-9-29(23(17)33)20-6-2-3-10-34-20)28-21-16(13-25-30(19)21)22(32)26-14-7-8-15(31)11-14;1-18(2,3)28-17(27)23(4)14-8-13(19)22-15-12(9-20-24(14)15)16(26)21-10-5-6-11(25)7-10;11-8-4-3-6-12(10(8)13)9-5-1-2-7-14-9/h7-8,12,15-18,23,36H,5-6,9-11,13-14H2,1-4H3,(H,30,37)(H,31,32);4-5,9,12-15,20,24,31H,2-3,6-8,10-11H2,1H3,(H,26,32)(H,27,28);8-11,25H,5-7H2,1-4H3,(H,21,26);3-4,6,9H,1-2,5,7,11H2/t17?,18-,23-;14?,15-,20-;10?,11-;9-/m1111/s1.
What are the key properties of 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1639.28 g/mol, XLogP of 8.89, 16 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R)-oxan-2-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(2R)-oxan-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159036443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).