4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile

C24H23N9 — CID 169006483

IUPAC4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile
SMILESCn1cc(Nc2nc3cccc(-c4ccc5nn(C6CCC(C#N)CC6)cc5c4)n3n2)cn1
InChIInChI=1S/C24H23N9/c1-31-15-19(13-26-31)27-24-28-23-4-2-3-22(33(23)30-24)17-7-10-21-18(11-17)14-32(29-21)20-8-5-16(12-25)6-9-20/h2-4,7,10-11,13-16,20H,5-6,8-9H2,1H3,(H,27,30)
InChIKeyZMUGWDPRESWPGL-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.48
Rot. Bonds4

About 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile

4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile (PubChem CID 169006483) has the molecular formula C24H23N9 and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile
PubChem CID169006483
Molecular FormulaC24H23N9
Molecular Weight437.51 g/mol
Exact Mass437.21
IUPAC Name4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile
SMILESCn1cc(Nc2nc3cccc(-c4ccc5nn(C6CCC(C#N)CC6)cc5c4)n3n2)cn1
InChIInChI=1S/C24H23N9/c1-31-15-19(13-26-31)27-24-28-23-4-2-3-22(33(23)30-24)17-7-10-21-18(11-17)14-32(29-21)20-8-5-16(12-25)6-9-20/h2-4,7,10-11,13-16,20H,5-6,8-9H2,1H3,(H,27,30)
InChIKeyZMUGWDPRESWPGL-UHFFFAOYSA-N
XLogP4.48
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile with MolForge

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Related Compounds

4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile
CID 169006453
3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile
CID 169006455
5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 169006487
5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 169006445
5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186503
[4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
CID 171469316
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589968
5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276419
[5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane
CID 90107248
N,5-bis(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186265
N-[3-(4-methylpiperazin-1-yl)-5-methylsulfonylphenyl]-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 178066207
5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile
CID 87507471

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile (CID 169006483) is 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile is Cn1cc(Nc2nc3cccc(-c4ccc5nn(C6CCC(C#N)CC6)cc5c4)n3n2)cn1.
What is the InChIKey of 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile?
The InChIKey is ZMUGWDPRESWPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9/c1-31-15-19(13-26-31)27-24-28-23-4-2-3-22(33(23)30-24)17-7-10-21-18(11-17)14-32(29-21)20-8-5-16(12-25)6-9-20/h2-4,7,10-11,13-16,20H,5-6,8-9H2,1H3,(H,27,30).
What are the key properties of 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile?
4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile has a molecular weight of 437.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 169006483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).