7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C86H95F3N24O4 — CID 158706824

IUPAC7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CN(Cc1ccccc1)c1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.NC1CC1
InChIInChI=1S/C31H33FN8O.C28H28FN7O2.C24H27FN8O.C3H7N/c1-37(18-21-6-3-2-4-7-21)28-16-27(36-30-25(17-34-40(28)30)31(41)35-22-9-10-22)26-20-39(29-24(26)8-5-13-33-29)23-11-14-38(19-23)15-12-32;1-33(16-19-6-3-2-4-7-19)25-14-24(32-27-22(28(37)38)15-31-36(25)27)23-18-35(26-21(23)8-5-11-30-26)20-9-12-34(17-20)13-10-29;1-26-21-11-20(30-23-18(12-28-33(21)23)24(34)29-15-4-5-15)19-14-32(22-17(19)3-2-8-27-22)16-6-9-31(13-16)10-7-25;4-3-1-2-3/h2-8,13,16-17,20,22-23H,9-12,14-15,18-19H2,1H3,(H,35,41);2-8,11,14-15,18,20H,9-10,12-13,16-17H2,1H3,(H,37,38);2-3,8,11-12,14-16,26H,4-7,9-10,13H2,1H3,(H,29,34);3H,1-2,4H2/t23-;20-;16-;/m111./s1
InChIKeyIIFGHASICXFQEA-FDZWPTEPSA-N
MW1585.86 g/mol
LogP11.79
Rot. Bonds24

About 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158706824) has the molecular formula C86H95F3N24O4 and a molecular weight of 1585.86 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158706824
Molecular FormulaC86H95F3N24O4
Molecular Weight1585.86 g/mol
Exact Mass1584.79
IUPAC Name7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CN(Cc1ccccc1)c1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.NC1CC1
InChIInChI=1S/C31H33FN8O.C28H28FN7O2.C24H27FN8O.C3H7N/c1-37(18-21-6-3-2-4-7-21)28-16-27(36-30-25(17-34-40(28)30)31(41)35-22-9-10-22)26-20-39(29-24(26)8-5-13-33-29)23-11-14-38(19-23)15-12-32;1-33(16-19-6-3-2-4-7-19)25-14-24(32-27-22(28(37)38)15-31-36(25)27)23-18-35(26-21(23)8-5-11-30-26)20-9-12-34(17-20)13-10-29;1-26-21-11-20(30-23-18(12-28-33(21)23)24(34)29-15-4-5-15)19-14-32(22-17(19)3-2-8-27-22)16-6-9-31(13-16)10-7-25;4-3-1-2-3/h2-8,13,16-17,20,22-23H,9-12,14-15,18-19H2,1H3,(H,35,41);2-8,11,14-15,18,20H,9-10,12-13,16-17H2,1H3,(H,37,38);2-3,8,11-12,14-16,26H,4-7,9-10,13H2,1H3,(H,29,34);3H,1-2,4H2/t23-;20-;16-;/m111./s1
InChIKeyIIFGHASICXFQEA-FDZWPTEPSA-N
XLogP11.79
TPSA293.78 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.86
LogP ≤ 511.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441381
N-[(1R,2S)-2-fluorocyclopropyl]-5-[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449276
N-cyclopropyl-5-[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449278
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449874
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449909
N-[(1R,2S)-2-fluorocyclopropyl]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449279
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
N-cyclopropyl-5-[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441384
7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450607
7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137457646
7-[Benzyl(methyl)amino]-5-[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139373624
7-[benzyl(methyl)amino]-5-[1-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146559383

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158706824) is 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(Cc1ccccc1)c1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CN(Cc1ccccc1)c1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn([C@@H]3CCN(CCF)C3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.NC1CC1.
What is the InChIKey of 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IIFGHASICXFQEA-FDZWPTEPSA-N. The full InChI is InChI=1S/C31H33FN8O.C28H28FN7O2.C24H27FN8O.C3H7N/c1-37(18-21-6-3-2-4-7-21)28-16-27(36-30-25(17-34-40(28)30)31(41)35-22-9-10-22)26-20-39(29-24(26)8-5-13-33-29)23-11-14-38(19-23)15-12-32;1-33(16-19-6-3-2-4-7-19)25-14-24(32-27-22(28(37)38)15-31-36(25)27)23-18-35(26-21(23)8-5-11-30-26)20-9-12-34(17-20)13-10-29;1-26-21-11-20(30-23-18(12-28-33(21)23)24(34)29-15-4-5-15)19-14-32(22-17(19)3-2-8-27-22)16-6-9-31(13-16)10-7-25;4-3-1-2-3/h2-8,13,16-17,20,22-23H,9-12,14-15,18-19H2,1H3,(H,35,41);2-8,11,14-15,18,20H,9-10,12-13,16-17H2,1H3,(H,37,38);2-3,8,11-12,14-16,26H,4-7,9-10,13H2,1H3,(H,29,34);3H,1-2,4H2/t23-;20-;16-;/m111./s1.
What are the key properties of 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1585.86 g/mol, XLogP of 11.79, 24 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158706824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).