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

C119H127F10N39O6 — CID 167565769

IUPACN-[(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
SMILESCNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@H]3CCOC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12
InChIInChI=1S/4C24H26F2N8O.C23H23F2N7O2/c4*1-27-20-10-18(17-13-33(14-6-9-32(2)12-14)21-15(17)4-3-8-28-21)30-22-16(11-29-34(20)22)23(35)31-19-5-7-24(19,25)26;1-26-19-9-17(16-11-31(13-5-8-34-12-13)20-14(16)3-2-7-27-20)29-21-15(10-28-32(19)21)22(33)30-18-4-6-23(18,24)25/h4*3-4,8,10-11,13-14,19,27H,5-7,9,12H2,1-2H3,(H,31,35);2-3,7,9-11,13,18,26H,4-6,8,12H2,1H3,(H,30,33)/t2*14-,19?;14-,19+;14-,19-;13-,18+/m10110/s1
InChIKeyFGJYJFPVMDZWQX-RVPDZUHVSA-N
MW2389.57 g/mol
LogP16.04
Rot. Bonds25

About 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

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 (PubChem CID 167565769) has the molecular formula C119H127F10N39O6 and a molecular weight of 2389.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID167565769
Molecular FormulaC119H127F10N39O6
Molecular Weight2389.57 g/mol
Exact Mass2388.07
IUPAC NameN-[(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
SMILESCNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@H]3CCOC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12
InChIInChI=1S/4C24H26F2N8O.C23H23F2N7O2/c4*1-27-20-10-18(17-13-33(14-6-9-32(2)12-14)21-15(17)4-3-8-28-21)30-22-16(11-29-34(20)22)23(35)31-19-5-7-24(19,25)26;1-26-19-9-17(16-11-31(13-5-8-34-12-13)20-14(16)3-2-7-27-20)29-21-15(10-28-32(19)21)22(33)30-18-4-6-23(18,24)25/h4*3-4,8,10-11,13-14,19,27H,5-7,9,12H2,1-2H3,(H,31,35);2-3,7,9-11,13,18,26H,4-6,8,12H2,1H3,(H,30,33)/t2*14-,19?;14-,19+;14-,19-;13-,18+/m10110/s1
InChIKeyFGJYJFPVMDZWQX-RVPDZUHVSA-N
XLogP16.04
TPSA467.89 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds25
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002389.57
LogP ≤ 516.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 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 with MolForge

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Related Compounds

N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560487
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449895
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449905
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449906
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383307
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383371
5-[1-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559190
5-[1-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559199
5-[1-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559213
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559227
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559230
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
CID 146559236

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@H]3CCN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@H]3CCOC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12.
What is the InChIKey of 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?
The InChIKey is FGJYJFPVMDZWQX-RVPDZUHVSA-N. The full InChI is InChI=1S/4C24H26F2N8O.C23H23F2N7O2/c4*1-27-20-10-18(17-13-33(14-6-9-32(2)12-14)21-15(17)4-3-8-28-21)30-22-16(11-29-34(20)22)23(35)31-19-5-7-24(19,25)26;1-26-19-9-17(16-11-31(13-5-8-34-12-13)20-14(16)3-2-7-27-20)29-21-15(10-28-32(19)21)22(33)30-18-4-6-23(18,24)25/h4*3-4,8,10-11,13-14,19,27H,5-7,9,12H2,1-2H3,(H,31,35);2-3,7,9-11,13,18,26H,4-6,8,12H2,1H3,(H,30,33)/t2*14-,19?;14-,19+;14-,19-;13-,18+/m10110/s1.
What are the key properties of 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?
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 has a molecular weight of 2389.57 g/mol, XLogP of 16.04, 25 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167565769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).