N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

C20H21N9O — CID 138588367

IUPACN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4cn(C5CCNCC5)nn4)cc3c2)cn1
InChIInChI=1S/C20H21N9O/c1-28-11-15(10-22-28)13-2-3-17-14(8-13)9-19(26-24-17)23-20(30)18-12-29(27-25-18)16-4-6-21-7-5-16/h2-3,8-12,16,21H,4-7H2,1H3,(H,23,26,30)
InChIKeyKOSXLLTUBLUGLT-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.80
Rot. Bonds4

About N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 138588367) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID138588367
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4cn(C5CCNCC5)nn4)cc3c2)cn1
InChIInChI=1S/C20H21N9O/c1-28-11-15(10-22-28)13-2-3-17-14(8-13)9-19(26-24-17)23-20(30)18-12-29(27-25-18)16-4-6-21-7-5-16/h2-3,8-12,16,21H,4-7H2,1H3,(H,23,26,30)
InChIKeyKOSXLLTUBLUGLT-UHFFFAOYSA-N
XLogP1.80
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide
CID 138590163
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 157434152
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138587820
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
CID 138588149
2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283426
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138589116
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 138588367) is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is Cn1cc(-c2ccc3nnc(NC(=O)c4cn(C5CCNCC5)nn4)cc3c2)cn1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KOSXLLTUBLUGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-28-11-15(10-22-28)13-2-3-17-14(8-13)9-19(26-24-17)23-20(30)18-12-29(27-25-18)16-4-6-21-7-5-16/h2-3,8-12,16,21H,4-7H2,1H3,(H,23,26,30).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 138588367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).