5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile

C21H19FN6 — CID 168902318

IUPAC5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
SMILESCn1cc2cc(-c3cc(F)c4nn(C5CCNCC5)cc4c3)cc(C#N)c2n1
InChIInChI=1S/C21H19FN6/c1-27-11-16-7-13(6-15(10-23)20(16)25-27)14-8-17-12-28(18-2-4-24-5-3-18)26-21(17)19(22)9-14/h6-9,11-12,18,24H,2-5H2,1H3
InChIKeyOCTUFVHIVVNRHE-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.53
Rot. Bonds2

About 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile

5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile (PubChem CID 168902318) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile.

Molecular Properties

Compound Name5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
PubChem CID168902318
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
SMILESCn1cc2cc(-c3cc(F)c4nn(C5CCNCC5)cc4c3)cc(C#N)c2n1
InChIInChI=1S/C21H19FN6/c1-27-11-16-7-13(6-15(10-23)20(16)25-27)14-8-17-12-28(18-2-4-24-5-3-18)26-21(17)19(22)9-14/h6-9,11-12,18,24H,2-5H2,1H3
InChIKeyOCTUFVHIVVNRHE-UHFFFAOYSA-N
XLogP3.53
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile
CID 137357468
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
CID 169221314
6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
CID 177038494
2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
CID 153383267
4-fluoro-6-[7-(1-fluoroethyl)-2-methylindazol-5-yl]-2-piperidin-4-ylbenzotriazole
CID 170593676
5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride
CID 146585473
tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
CID 168902406
(Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine
CID 177038528
6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
CID 153383156
4-[1-(azepan-4-yl)-3-(3-fluoro-4-methoxyphenyl)pyrazol-4-yl]-2-fluorobenzonitrile
CID 163791356
7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol
CID 168979240

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile?
The IUPAC name of 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile (CID 168902318) is 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile.
What is the SMILES notation for 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile?
The canonical SMILES for 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile is Cn1cc2cc(-c3cc(F)c4nn(C5CCNCC5)cc4c3)cc(C#N)c2n1.
What is the InChIKey of 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile?
The InChIKey is OCTUFVHIVVNRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c1-27-11-16-7-13(6-15(10-23)20(16)25-27)14-8-17-12-28(18-2-4-24-5-3-18)26-21(17)19(22)9-14/h6-9,11-12,18,24H,2-5H2,1H3.
What are the key properties of 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile?
5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile has a molecular weight of 374.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 168902318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).