1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one

C27H28N4O — CID 10812266

IUPAC1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1nc2cnccc2n1C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28N4O/c1-20-29-25-19-28-15-12-26(25)31(20)23-13-16-30(17-14-23)27(32)18-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-12,15,19,23-24H,13-14,16-18H2,1H3
InChIKeyDOYLLQXZMXPFEJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.13
Rot. Bonds5

About 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one

1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 10812266) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID10812266
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1nc2cnccc2n1C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28N4O/c1-20-29-25-19-28-15-12-26(25)31(20)23-13-16-30(17-14-23)27(32)18-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-12,15,19,23-24H,13-14,16-18H2,1H3
InChIKeyDOYLLQXZMXPFEJ-UHFFFAOYSA-N
XLogP5.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one (CID 10812266) is 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one is Cc1nc2cnccc2n1C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is DOYLLQXZMXPFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-20-29-25-19-28-15-12-26(25)31(20)23-13-16-30(17-14-23)27(32)18-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-12,15,19,23-24H,13-14,16-18H2,1H3.
What are the key properties of 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 424.55 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 10812266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).