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

C28H31N5O — CID 90066715

IUPAC[4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone
SMILESCc1nc(-c2cc(C(=O)N3CCC(c4ccn5c(C)ncc5c4)CC3)ccc2C2CC2)c(C)[nH]1
InChIInChI=1S/C28H31N5O/c1-17-27(31-18(2)30-17)26-15-23(6-7-25(26)21-4-5-21)28(34)32-11-8-20(9-12-32)22-10-13-33-19(3)29-16-24(33)14-22/h6-7,10,13-16,20-21H,4-5,8-9,11-12H2,1-3H3,(H,30,31)
InChIKeyFFFILHSGTQKZOO-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.55
Rot. Bonds4

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

[4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone (PubChem CID 90066715) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone
PubChem CID90066715
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name[4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone
SMILESCc1nc(-c2cc(C(=O)N3CCC(c4ccn5c(C)ncc5c4)CC3)ccc2C2CC2)c(C)[nH]1
InChIInChI=1S/C28H31N5O/c1-17-27(31-18(2)30-17)26-15-23(6-7-25(26)21-4-5-21)28(34)32-11-8-20(9-12-32)22-10-13-33-19(3)29-16-24(33)14-22/h6-7,10,13-16,20-21H,4-5,8-9,11-12H2,1-3H3,(H,30,31)
InChIKeyFFFILHSGTQKZOO-UHFFFAOYSA-N
XLogP5.55
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 176753163
4-[1-[4-chloro-3-(2,5-dimethyl-1H-imidazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 90030314
4-[1-[4-cyclobutyl-3-[2-(methoxymethyl)-1H-imidazol-5-yl]benzoyl]piperidin-4-yl]benzonitrile
CID 70907839
4-[1-[3-(2-cyclopropyl-1H-imidazol-5-yl)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 176753146
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylbenzoic acid
CID 90022097
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
chloromethane;5-(2,5-dimethyl-1H-imidazol-4-yl)-2,4-dimethylbenzoic acid;4-[1-[5-(2,5-dimethyl-1H-imidazol-4-yl)-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile;4-piperidin-4-ylbenzonitrile;hydrochloride
CID 158946453
1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 155312962
3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine
CID 90066735
(3,4-dimethylphenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849106
(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848910

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone (CID 90066715) is [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone is Cc1nc(-c2cc(C(=O)N3CCC(c4ccn5c(C)ncc5c4)CC3)ccc2C2CC2)c(C)[nH]1.
What is the InChIKey of [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone?
The InChIKey is FFFILHSGTQKZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-17-27(31-18(2)30-17)26-15-23(6-7-25(26)21-4-5-21)28(34)32-11-8-20(9-12-32)22-10-13-33-19(3)29-16-24(33)14-22/h6-7,10,13-16,20-21H,4-5,8-9,11-12H2,1-3H3,(H,30,31).
What are the key properties of [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone?
[4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone has a molecular weight of 453.59 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90066715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).