1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide

C23H23ClF2N6O3 — CID 71009387

IUPAC1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)N[C@H](C)c3cccc(Cl)c3F)c2cn1
InChIInChI=1S/C23H23ClF2N6O3/c1-11-6-15-18(8-28-11)32(30-21(15)22(27)34)10-19(33)31-9-13(25)7-17(31)23(35)29-12(2)14-4-3-5-16(24)20(14)26/h3-6,8,12-13,17H,7,9-10H2,1-2H3,(H2,27,34)(H,29,35)/t12-,13-,17+/m1/s1
InChIKeyKIZZNSFCUGBQPG-XNJGSVPQSA-N
MW504.93 g/mol
LogP2.45
Rot. Bonds6

About 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 71009387) has the molecular formula C23H23ClF2N6O3 and a molecular weight of 504.93 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID71009387
Molecular FormulaC23H23ClF2N6O3
Molecular Weight504.93 g/mol
Exact Mass504.15
IUPAC Name1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)N[C@H](C)c3cccc(Cl)c3F)c2cn1
InChIInChI=1S/C23H23ClF2N6O3/c1-11-6-15-18(8-28-11)32(30-21(15)22(27)34)10-19(33)31-9-13(25)7-17(31)23(35)29-12(2)14-4-3-5-16(24)20(14)26/h3-6,8,12-13,17H,7,9-10H2,1-2H3,(H2,27,34)(H,29,35)/t12-,13-,17+/m1/s1
InChIKeyKIZZNSFCUGBQPG-XNJGSVPQSA-N
XLogP2.45
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.93
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-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

Factor D inhibitor 6
CID 68283608
(9R,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118285705
CID 118286034
CID 118286034
CID 118286035
CID 118286035
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 134278371
Psn357
CID 56603686
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135523938
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyridin-3-yl)-ethyl)-1H-pyrrole-2-carboxamide
CID 135523940
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-((R)-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 135523941
N-((S)-Carbamoyl(phenyl)methyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523947
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(3,4-difluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 135523957

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide (CID 71009387) is 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)N[C@H](C)c3cccc(Cl)c3F)c2cn1.
What is the InChIKey of 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is KIZZNSFCUGBQPG-XNJGSVPQSA-N. The full InChI is InChI=1S/C23H23ClF2N6O3/c1-11-6-15-18(8-28-11)32(30-21(15)22(27)34)10-19(33)31-9-13(25)7-17(31)23(35)29-12(2)14-4-3-5-16(24)20(14)26/h3-6,8,12-13,17H,7,9-10H2,1-2H3,(H2,27,34)(H,29,35)/t12-,13-,17+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 504.93 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-2-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 71009387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).