1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C27H26FN7O — CID 171533639

IUPAC1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-n3nc(-c4cc(F)cc5nn(C)cc45)c4cccc(C)c43)cn2)CC1
InChIInChI=1S/C27H26FN7O/c1-17-5-4-6-21-26(22-13-19(28)14-24-23(22)16-32(3)30-24)31-35(27(17)21)20-7-8-25(29-15-20)34-11-9-33(10-12-34)18(2)36/h4-8,13-16H,9-12H2,1-3H3
InChIKeyNYXSXFYAVBWMRQ-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.09
Rot. Bonds3

About 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 171533639) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID171533639
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-n3nc(-c4cc(F)cc5nn(C)cc45)c4cccc(C)c43)cn2)CC1
InChIInChI=1S/C27H26FN7O/c1-17-5-4-6-21-26(22-13-19(28)14-24-23(22)16-32(3)30-24)31-35(27(17)21)20-7-8-25(29-15-20)34-11-9-33(10-12-34)18(2)36/h4-8,13-16H,9-12H2,1-3H3
InChIKeyNYXSXFYAVBWMRQ-UHFFFAOYSA-N
XLogP4.09
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1R,4R)-5-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 171533576
(1R,4S,5S)-2-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.2.1]heptane-5-carboxylic acid
CID 171600018
1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 166054945
1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide
CID 166055045
1,3-dimethyl-8-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166055001
1-[5-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 171533720
tert-butyl N-[3-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 166055025
6-chloro-5-fluoro-7-methyl-1-[6-[(5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-3-(2-methylindazol-4-yl)indazole;formic acid
CID 171533512
4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one
CID 166054981
7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole
CID 166055011
3-[5-[7-methoxy-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
CID 166097121
methyl 3-[5-[6-(hydroxymethyl)-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 166055027

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 171533639) is 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(-n3nc(-c4cc(F)cc5nn(C)cc45)c4cccc(C)c43)cn2)CC1.
What is the InChIKey of 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is NYXSXFYAVBWMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-17-5-4-6-21-26(22-13-19(28)14-24-23(22)16-32(3)30-24)31-35(27(17)21)20-7-8-25(29-15-20)34-11-9-33(10-12-34)18(2)36/h4-8,13-16H,9-12H2,1-3H3.
What are the key properties of 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 483.55 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 171533639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).