3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide

C27H23ClFN5O — CID 134522898

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide
SMILESCn1cc(C(C)(C)NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)cn1
InChIInChI=1S/C27H23ClFN5O/c1-27(2,18-15-30-33(3)16-18)31-26(35)17-8-13-22-24(14-17)34(20-11-9-19(29)10-12-20)32-25(22)21-6-4-5-7-23(21)28/h4-16H,1-3H3,(H,31,35)
InChIKeyOBTLICBCPYFGNU-UHFFFAOYSA-N
MW487.97 g/mol
LogP5.88
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide (PubChem CID 134522898) has the molecular formula C27H23ClFN5O and a molecular weight of 487.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide
PubChem CID134522898
Molecular FormulaC27H23ClFN5O
Molecular Weight487.97 g/mol
Exact Mass487.16
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide
SMILESCn1cc(C(C)(C)NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)cn1
InChIInChI=1S/C27H23ClFN5O/c1-27(2,18-15-30-33(3)16-18)31-26(35)17-8-13-22-24(14-17)34(20-11-9-19(29)10-12-20)32-25(22)21-6-4-5-7-23(21)28/h4-16H,1-3H3,(H,31,35)
InChIKeyOBTLICBCPYFGNU-UHFFFAOYSA-N
XLogP5.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.97
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-carbamoylphenyl)methyl]-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 44298227
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(2-phenylethyl)indole-6-carboxamide
CID 44298485
1-benzyl-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 12088734
N-(3-Chlorobenzyl)-2-[2-(1H-pyrazol-1-yl)ethyl]-2H-indazole-6-carboxamide
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(2-((1H-indazol-6-yl)methylamino)phenyl)(5-chloro-1H-indol-3-yl)methanone
CID 44578019
2-tert-butyl-1'-(3-chloro-1H-indole-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967950
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138781
1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138845
4-Chloro-N-(3-chlorobenzyl)-2-[2-(1H-pyrazol-1-yl)ethyl]-2H-indazole-6-carboxamide
CID 59292071
N-(3-chloro-4-fluorophenyl)-2-methylindazole-5-carboxamide
CID 77844719
FGFR1/DDR2 inhibitor 1
CID 138454761
4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
CID 22978184

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide (CID 134522898) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide is Cn1cc(C(C)(C)NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)cn1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide?
The InChIKey is OBTLICBCPYFGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN5O/c1-27(2,18-15-30-33(3)16-18)31-26(35)17-8-13-22-24(14-17)34(20-11-9-19(29)10-12-20)32-25(22)21-6-4-5-7-23(21)28/h4-16H,1-3H3,(H,31,35).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide has a molecular weight of 487.97 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]indazole-6-carboxamide is sourced from PubChem (CID 134522898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).