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

C23H22ClFN6O3 — CID 72943718

IUPAC1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-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]2c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C23H22ClFN6O3/c24-13-3-1-12(2-4-13)16-8-17(16)28-23(34)18-7-14(25)10-30(18)20(32)11-31-19-9-27-6-5-15(19)21(29-31)22(26)33/h1-6,9,14,16-18H,7-8,10-11H2,(H2,26,33)(H,28,34)/t14-,16+,17-,18+/m1/s1
InChIKeyNXDAAWAJWFCSTJ-SPUZQDLCSA-N
MW484.92 g/mol
LogP1.79
Rot. Bonds6

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

1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72943718) has the molecular formula C23H22ClFN6O3 and a molecular weight of 484.92 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID72943718
Molecular FormulaC23H22ClFN6O3
Molecular Weight484.92 g/mol
Exact Mass484.14
IUPAC Name1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-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]2c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C23H22ClFN6O3/c24-13-3-1-12(2-4-13)16-8-17(16)28-23(34)18-7-14(25)10-30(18)20(32)11-31-19-9-27-6-5-15(19)21(29-31)22(26)33/h1-6,9,14,16-18H,7-8,10-11H2,(H2,26,33)(H,28,34)/t14-,16+,17-,18+/m1/s1
InChIKeyNXDAAWAJWFCSTJ-SPUZQDLCSA-N
XLogP1.79
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72943718) is 1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-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]2c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of 1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is NXDAAWAJWFCSTJ-SPUZQDLCSA-N. The full InChI is InChI=1S/C23H22ClFN6O3/c24-13-3-1-12(2-4-13)16-8-17(16)28-23(34)18-7-14(25)10-30(18)20(32)11-31-19-9-27-6-5-15(19)21(29-31)22(26)33/h1-6,9,14,16-18H,7-8,10-11H2,(H2,26,33)(H,28,34)/t14-,16+,17-,18+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(2S,4R)-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 484.92 g/mol, XLogP of 1.79, 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,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72943718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).