5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride

C22H18ClFN6 — CID 146585473

IUPAC5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride
SMILESCl.Cn1cc2cc(-c3cc4c(F)cc(C5=CCNCC5)cc4nn3)cc(C#N)c2n1
InChIInChI=1S/C22H17FN6.ClH/c1-29-12-17-7-15(6-16(11-24)22(17)28-29)20-10-18-19(23)8-14(9-21(18)27-26-20)13-2-4-25-5-3-13;/h2,6-10,12,25H,3-5H2,1H3;1H
InChIKeyQFWIMBSWGQTDSX-UHFFFAOYSA-N
MW420.88 g/mol
LogP3.99
Rot. Bonds2

About 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride

5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride (PubChem CID 146585473) has the molecular formula C22H18ClFN6 and a molecular weight of 420.88 g/mol. Its IUPAC name is 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride
PubChem CID146585473
Molecular FormulaC22H18ClFN6
Molecular Weight420.88 g/mol
Exact Mass420.13
IUPAC Name5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride
SMILESCl.Cn1cc2cc(-c3cc4c(F)cc(C5=CCNCC5)cc4nn3)cc(C#N)c2n1
InChIInChI=1S/C22H17FN6.ClH/c1-29-12-17-7-15(6-16(11-24)22(17)28-29)20-10-18-19(23)8-14(9-21(18)27-26-20)13-2-4-25-5-3-13;/h2,6-10,12,25H,3-5H2,1H3;1H
InChIKeyQFWIMBSWGQTDSX-UHFFFAOYSA-N
XLogP3.99
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride with MolForge

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Related Compounds

6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile
CID 155817684
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CID 164621330
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164623515
3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzonitrile
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CID 135381971
US11168082, Cpd. No. 38
CID 142474819
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CID 142474859
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CID 142474960
3-fluoro-5-[[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]amino]methyl]benzonitrile
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5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
CID 166551414
N-(3-Cyanophenyl)-2-(3-(6-methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)ethanethioamide
CID 52920857

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride?
The IUPAC name of 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride (CID 146585473) is 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride.
What is the SMILES notation for 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride?
The canonical SMILES for 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride is Cl.Cn1cc2cc(-c3cc4c(F)cc(C5=CCNCC5)cc4nn3)cc(C#N)c2n1.
What is the InChIKey of 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride?
The InChIKey is QFWIMBSWGQTDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6.ClH/c1-29-12-17-7-15(6-16(11-24)22(17)28-29)20-10-18-19(23)8-14(9-21(18)27-26-20)13-2-4-25-5-3-13;/h2,6-10,12,25H,3-5H2,1H3;1H.
What are the key properties of 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride?
5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride has a molecular weight of 420.88 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride is sourced from PubChem (CID 146585473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).