1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide

C23H19FN4O3S — CID 52917504

IUPAC1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide
SMILESCS(=O)(=O)c1cc(C2(NC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C23H19FN4O3S/c1-32(30,31)21-13-15(9-12-25-21)23(10-11-23)27-22(29)18-3-2-4-20-19(18)14-26-28(20)17-7-5-16(24)6-8-17/h2-9,12-14H,10-11H2,1H3,(H,27,29)
InChIKeyCHIPAOINOPBYSN-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide

1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide (PubChem CID 52917504) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide
PubChem CID52917504
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide
SMILESCS(=O)(=O)c1cc(C2(NC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C23H19FN4O3S/c1-32(30,31)21-13-15(9-12-25-21)23(10-11-23)27-22(29)18-3-2-4-20-19(18)14-26-28(20)17-7-5-16(24)6-8-17/h2-9,12-14H,10-11H2,1H3,(H,27,29)
InChIKeyCHIPAOINOPBYSN-UHFFFAOYSA-N
XLogP3.38
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67115968
1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 70935640
1-(4-fluorophenyl)-N-[1-[6-(methylamino)-3-pyridinyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917427
N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917351
N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917285
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278299
1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-3-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 158469598
1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
CID 143887635
1-(4-fluorophenyl)-N-[(2R)-2-methyl-1-pyridin-4-ylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965550
N-[1-[3,6-bis(methylamino)-2-pyridinyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67115792

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide (CID 52917504) is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide is CS(=O)(=O)c1cc(C2(NC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)CC2)ccn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide?
The InChIKey is CHIPAOINOPBYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c1-32(30,31)21-13-15(9-12-25-21)23(10-11-23)27-22(29)18-3-2-4-20-19(18)14-26-28(20)17-7-5-16(24)6-8-17/h2-9,12-14H,10-11H2,1H3,(H,27,29).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide is sourced from PubChem (CID 52917504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).