[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone

C24H26N6O — CID 90030559

IUPAC[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone
SMILESCc1nc(-c2cc(C(=O)N3CCC(c4ccn5cnnc5c4)CC3)ccc2C)c(C)[nH]1
InChIInChI=1S/C24H26N6O/c1-15-4-5-20(12-21(15)23-16(2)26-17(3)27-23)24(31)29-9-6-18(7-10-29)19-8-11-30-14-25-28-22(30)13-19/h4-5,8,11-14,18H,6-7,9-10H2,1-3H3,(H,26,27)
InChIKeyPUQRZTUCYMYRQZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.06
Rot. Bonds3

About [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone

[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone (PubChem CID 90030559) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone
PubChem CID90030559
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone
SMILESCc1nc(-c2cc(C(=O)N3CCC(c4ccn5cnnc5c4)CC3)ccc2C)c(C)[nH]1
InChIInChI=1S/C24H26N6O/c1-15-4-5-20(12-21(15)23-16(2)26-17(3)27-23)24(31)29-9-6-18(7-10-29)19-8-11-30-14-25-28-22(30)13-19/h4-5,8,11-14,18H,6-7,9-10H2,1-3H3,(H,26,27)
InChIKeyPUQRZTUCYMYRQZ-UHFFFAOYSA-N
XLogP4.06
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone (CID 90030559) is [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone is Cc1nc(-c2cc(C(=O)N3CCC(c4ccn5cnnc5c4)CC3)ccc2C)c(C)[nH]1.
What is the InChIKey of [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone?
The InChIKey is PUQRZTUCYMYRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-15-4-5-20(12-21(15)23-16(2)26-17(3)27-23)24(31)29-9-6-18(7-10-29)19-8-11-30-14-25-28-22(30)13-19/h4-5,8,11-14,18H,6-7,9-10H2,1-3H3,(H,26,27).
What are the key properties of [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone?
[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90030559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).