N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide

C34H24FN5O — CID 145248189

IUPACN-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide
SMILESCn1nc(-c2cc3c(-c4ccccc4F)cccc3[nH]2)c2cc(-c3cncc(NC(=O)c4ccccc4)c3)ccc21
InChIInChI=1S/C34H24FN5O/c1-40-32-15-14-22(23-16-24(20-36-19-23)37-34(41)21-8-3-2-4-9-21)17-28(32)33(39-40)31-18-27-25(11-7-13-30(27)38-31)26-10-5-6-12-29(26)35/h2-20,38H,1H3,(H,37,41)
InChIKeyPYGRVYRVASJKTA-UHFFFAOYSA-N
MW537.60 g/mol
LogP7.84
Rot. Bonds5

About N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 145248189) has the molecular formula C34H24FN5O and a molecular weight of 537.60 g/mol. Its IUPAC name is N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide
PubChem CID145248189
Molecular FormulaC34H24FN5O
Molecular Weight537.60 g/mol
Exact Mass537.20
IUPAC NameN-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide
SMILESCn1nc(-c2cc3c(-c4ccccc4F)cccc3[nH]2)c2cc(-c3cncc(NC(=O)c4ccccc4)c3)ccc21
InChIInChI=1S/C34H24FN5O/c1-40-32-15-14-22(23-16-24(20-36-19-23)37-34(41)21-8-3-2-4-9-21)17-28(32)33(39-40)31-18-27-25(11-7-13-30(27)38-31)26-10-5-6-12-29(26)35/h2-20,38H,1H3,(H,37,41)
InChIKeyPYGRVYRVASJKTA-UHFFFAOYSA-N
XLogP7.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.60
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137115059
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137116750
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137115245
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137087934
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137116846
N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145308120
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137040170
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 126560787
N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137115199
N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide
CID 145247992
N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088660
N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137311690

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide (CID 145248189) is N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide is Cn1nc(-c2cc3c(-c4ccccc4F)cccc3[nH]2)c2cc(-c3cncc(NC(=O)c4ccccc4)c3)ccc21.
What is the InChIKey of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is PYGRVYRVASJKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN5O/c1-40-32-15-14-22(23-16-24(20-36-19-23)37-34(41)21-8-3-2-4-9-21)17-28(32)33(39-40)31-18-27-25(11-7-13-30(27)38-31)26-10-5-6-12-29(26)35/h2-20,38H,1H3,(H,37,41).
What are the key properties of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 537.60 g/mol, XLogP of 7.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 145248189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).