1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C23H22F2N6O3 — CID 72944904

IUPAC1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c2cnccc12
InChIInChI=1S/C23H22F2N6O3/c24-12-7-18(23(34)28-17-8-15(17)13-3-1-2-4-16(13)25)30(10-12)20(32)11-31-19-9-27-6-5-14(19)21(29-31)22(26)33/h1-6,9,12,15,17-18H,7-8,10-11H2,(H2,26,33)(H,28,34)/t12-,15+,17-,18+/m1/s1
InChIKeyATGUPDKNZUNTJL-XGWTYTTDSA-N
MW468.46 g/mol
LogP1.28
Rot. Bonds6

About 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72944904) has the molecular formula C23H22F2N6O3 and a molecular weight of 468.46 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID72944904
Molecular FormulaC23H22F2N6O3
Molecular Weight468.46 g/mol
Exact Mass468.17
IUPAC Name1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c2cnccc12
InChIInChI=1S/C23H22F2N6O3/c24-12-7-18(23(34)28-17-8-15(17)13-3-1-2-4-16(13)25)30(10-12)20(32)11-31-19-9-27-6-5-14(19)21(29-31)22(26)33/h1-6,9,12,15,17-18H,7-8,10-11H2,(H2,26,33)(H,28,34)/t12-,15+,17-,18+/m1/s1
InChIKeyATGUPDKNZUNTJL-XGWTYTTDSA-N
XLogP1.28
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
Factor D inhibitor 6
CID 68283608
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 165129719

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72944904) is 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c2cnccc12.
What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ATGUPDKNZUNTJL-XGWTYTTDSA-N. The full InChI is InChI=1S/C23H22F2N6O3/c24-12-7-18(23(34)28-17-8-15(17)13-3-1-2-4-16(13)25)30(10-12)20(32)11-31-19-9-27-6-5-14(19)21(29-31)22(26)33/h1-6,9,12,15,17-18H,7-8,10-11H2,(H2,26,33)(H,28,34)/t12-,15+,17-,18+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 1.28, 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)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72944904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).