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

C31H26FN5O — CID 137116750

IUPACN-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C31H26FN5O/c1-18(2)12-30(38)34-21-13-20(16-33-17-21)19-10-11-28-25(14-19)31(37-36-28)29-15-24-22(7-5-9-27(24)35-29)23-6-3-4-8-26(23)32/h3-11,13-18,35H,12H2,1-2H3,(H,34,38)(H,36,37)
InChIKeyOAAVYBCGHXQEDL-UHFFFAOYSA-N
MW503.58 g/mol
LogP7.56
Rot. Bonds6

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

N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 137116750) has the molecular formula C31H26FN5O and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID137116750
Molecular FormulaC31H26FN5O
Molecular Weight503.58 g/mol
Exact Mass503.21
IUPAC NameN-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C31H26FN5O/c1-18(2)12-30(38)34-21-13-20(16-33-17-21)19-10-11-28-25(14-19)31(37-36-28)29-15-24-22(7-5-9-27(24)35-29)23-6-3-4-8-26(23)32/h3-11,13-18,35H,12H2,1-2H3,(H,34,38)(H,36,37)
InChIKeyOAAVYBCGHXQEDL-UHFFFAOYSA-N
XLogP7.56
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.58
LogP ≤ 57.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137112075
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137116095
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 137088527
3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115955
3-methyl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137117025
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137113418
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137308415
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137111482
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-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137113614
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137308428
3-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137113792

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 137116750) is N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is OAAVYBCGHXQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O/c1-18(2)12-30(38)34-21-13-20(16-33-17-21)19-10-11-28-25(14-19)31(37-36-28)29-15-24-22(7-5-9-27(24)35-29)23-6-3-4-8-26(23)32/h3-11,13-18,35H,12H2,1-2H3,(H,34,38)(H,36,37).
What are the key properties of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 503.58 g/mol, XLogP of 7.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 137116750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).