1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C24H22FN5O4S — CID 163804926

IUPAC1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)C[C@H]2C)cc(S(C)(=O)=O)n1
InChIInChI=1S/C24H22FN5O4S/c1-14-10-24(14,15-8-21(34-2)28-22(9-15)35(3,32)33)29-23(31)19-11-26-13-20-18(19)12-27-30(20)17-6-4-16(25)5-7-17/h4-9,11-14H,10H2,1-3H3,(H,29,31)/t14-,24?/m1/s1
InChIKeyNIEZHJPSFAGKRW-GMBBYQRISA-N
MW495.54 g/mol
LogP3.03
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 163804926) has the molecular formula C24H22FN5O4S and a molecular weight of 495.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID163804926
Molecular FormulaC24H22FN5O4S
Molecular Weight495.54 g/mol
Exact Mass495.14
IUPAC Name1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)C[C@H]2C)cc(S(C)(=O)=O)n1
InChIInChI=1S/C24H22FN5O4S/c1-14-10-24(14,15-8-21(34-2)28-22(9-15)35(3,32)33)29-23(31)19-11-26-13-20-18(19)12-27-30(20)17-6-4-16(25)5-7-17/h4-9,11-14H,10H2,1-3H3,(H,29,31)/t14-,24?/m1/s1
InChIKeyNIEZHJPSFAGKRW-GMBBYQRISA-N
XLogP3.03
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CCR1 antagonist 8
CID 52916803
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclobutyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917500
1-(4-fluorophenyl)-N-[2-(2-methylsulfonyl-4-pyridinyl)propan-2-yl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278307
US11787810, Example 113
CID 162358878
1-(4-fluorophenyl)-7-methoxy-N-{[4-(methylsulfamoyl)phenyl]methyl}-1H-pyrazolo[3,4-c]pyridine-4-carboxamide
CID 133084072
US11787810, Example 31
CID 162358855
US11787810, Example 26
CID 162358896
US11787810, Example 116
CID 162358916
US11787810, Example 28
CID 162358924
US11787810, Example 69
CID 162358931
US11787810, Example 121
CID 162358941
US11787810, Example 71
CID 162358959

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 163804926) is 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is COc1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)C[C@H]2C)cc(S(C)(=O)=O)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is NIEZHJPSFAGKRW-GMBBYQRISA-N. The full InChI is InChI=1S/C24H22FN5O4S/c1-14-10-24(14,15-8-21(34-2)28-22(9-15)35(3,32)33)29-23(31)19-11-26-13-20-18(19)12-27-30(20)17-6-4-16(25)5-7-17/h4-9,11-14H,10H2,1-3H3,(H,29,31)/t14-,24?/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2R)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)-2-methylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 163804926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).