5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile

C22H19FN6 — CID 137357468

IUPAC5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile
SMILESCn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)ncc4c3)cc(C#N)c2n1
InChIInChI=1S/C22H19FN6/c1-29-12-18-8-14(6-16(10-24)20(18)28-29)15-7-17-11-26-22(13-2-4-25-5-3-13)27-21(17)19(23)9-15/h6-9,11-13,25H,2-5H2,1H3
InChIKeyITRDZLYJMKWJDV-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.66
Rot. Bonds2

About 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile

5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile (PubChem CID 137357468) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile.

Molecular Properties

Compound Name5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile
PubChem CID137357468
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile
SMILESCn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)ncc4c3)cc(C#N)c2n1
InChIInChI=1S/C22H19FN6/c1-29-12-18-8-14(6-16(10-24)20(18)28-29)15-7-17-11-26-22(13-2-4-25-5-3-13)27-21(17)19(23)9-15/h6-9,11-13,25H,2-5H2,1H3
InChIKeyITRDZLYJMKWJDV-UHFFFAOYSA-N
XLogP3.66
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
CID 168902318
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
CID 153383267
5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride
CID 146585473
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride
CID 159964386
6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
CID 153383156
4-fluoro-6-[7-(1-fluoroethyl)-2-methylindazol-5-yl]-2-piperidin-4-ylbenzotriazole
CID 170593676
2-(7-ethynyl-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178051151
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 153382993
8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
CID 174159605
N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine
CID 167867635
5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
CID 169221314

Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile?
The IUPAC name of 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile (CID 137357468) is 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile.
What is the SMILES notation for 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile?
The canonical SMILES for 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile is Cn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)ncc4c3)cc(C#N)c2n1.
What is the InChIKey of 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile?
The InChIKey is ITRDZLYJMKWJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c1-29-12-18-8-14(6-16(10-24)20(18)28-29)15-7-17-11-26-22(13-2-4-25-5-3-13)27-21(17)19(23)9-15/h6-9,11-13,25H,2-5H2,1H3.
What are the key properties of 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile?
5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile has a molecular weight of 386.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 137357468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).