1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C23H22FN5O4S — CID 70897253

IUPAC1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CCCO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H22FN5O4S/c1-34(32,33)22-11-15(8-9-26-22)20(3-2-10-30)28-23(31)19-12-25-14-21-18(19)13-27-29(21)17-6-4-16(24)5-7-17/h4-9,11-14,20,30H,2-3,10H2,1H3,(H,28,31)/t20-/m0/s1
InChIKeySTNWJPRRUFGGAE-FQEVSTJZSA-N
MW483.53 g/mol
LogP2.60
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 70897253) has the molecular formula C23H22FN5O4S and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID70897253
Molecular FormulaC23H22FN5O4S
Molecular Weight483.53 g/mol
Exact Mass483.14
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CCCO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H22FN5O4S/c1-34(32,33)22-11-15(8-9-26-22)20(3-2-10-30)28-23(31)19-12-25-14-21-18(19)13-27-29(21)17-6-4-16(24)5-7-17/h4-9,11-14,20,30H,2-3,10H2,1H3,(H,28,31)/t20-/m0/s1
InChIKeySTNWJPRRUFGGAE-FQEVSTJZSA-N
XLogP2.60
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 70897253) is 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1cc([C@H](CCCO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is STNWJPRRUFGGAE-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22FN5O4S/c1-34(32,33)22-11-15(8-9-26-22)20(3-2-10-30)28-23(31)19-12-25-14-21-18(19)13-27-29(21)17-6-4-16(24)5-7-17/h4-9,11-14,20,30H,2-3,10H2,1H3,(H,28,31)/t20-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 70897253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).