2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone

C23H27N9O — CID 147858441

IUPAC2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
SMILESCC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4nn3)nn2)CC1
InChIInChI=1S/C23H27N9O/c1-15(2)31-8-6-19(7-9-31)32-14-22(27-29-32)23(33)12-18-11-17-10-16(4-5-20(17)25-24-18)21-13-30(3)28-26-21/h4-5,10-11,13-15,19H,6-9,12H2,1-3H3
InChIKeyHWEYKFZKQUQGJX-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.49
Rot. Bonds6

About 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone

2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone (PubChem CID 147858441) has the molecular formula C23H27N9O and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
PubChem CID147858441
Molecular FormulaC23H27N9O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
SMILESCC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4nn3)nn2)CC1
InChIInChI=1S/C23H27N9O/c1-15(2)31-8-6-19(7-9-31)32-14-22(27-29-32)23(33)12-18-11-17-10-16(4-5-20(17)25-24-18)21-13-30(3)28-26-21/h4-5,10-11,13-15,19H,6-9,12H2,1-3H3
InChIKeyHWEYKFZKQUQGJX-UHFFFAOYSA-N
XLogP2.49
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147372475
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590816
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-morpholin-4-ylethanone
CID 160671505
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]ethanone
CID 160657363
2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 162016532
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
CID 147183577
N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138586828
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propylpiperidin-4-yl)triazol-4-yl]ethanone
CID 158214708
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 157434152
1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]cinnolin-3-yl]ethanone
CID 148875521
2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone
CID 161236509
1-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-3-piperidin-1-ylbutan-2-one
CID 153255415

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone?
The IUPAC name of 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone (CID 147858441) is 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone.
What is the SMILES notation for 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone?
The canonical SMILES for 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone is CC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4nn3)nn2)CC1.
What is the InChIKey of 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone?
The InChIKey is HWEYKFZKQUQGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O/c1-15(2)31-8-6-19(7-9-31)32-14-22(27-29-32)23(33)12-18-11-17-10-16(4-5-20(17)25-24-18)21-13-30(3)28-26-21/h4-5,10-11,13-15,19H,6-9,12H2,1-3H3.
What are the key properties of 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone?
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone has a molecular weight of 445.53 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone is sourced from PubChem (CID 147858441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).