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

C28H30N4O2 — CID 10766154

IUPAC3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H30N4O2/c1-21-30-25-19-29-15-12-26(25)32(21)20-22-13-16-31(17-14-22)27(33)18-28(34,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-12,15,19,22,34H,13-14,16-18,20H2,1H3
InChIKeyKHRYAVSPTWDZNY-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.30
Rot. Bonds6

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

3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 10766154) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID10766154
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H30N4O2/c1-21-30-25-19-29-15-12-26(25)32(21)20-22-13-16-31(17-14-22)27(33)18-28(34,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-12,15,19,22,34H,13-14,16-18,20H2,1H3
InChIKeyKHRYAVSPTWDZNY-UHFFFAOYSA-N
XLogP4.30
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one (CID 10766154) is 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one is Cc1nc2cnccc2n1CC1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is KHRYAVSPTWDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-21-30-25-19-29-15-12-26(25)32(21)20-22-13-16-31(17-14-22)27(33)18-28(34,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-12,15,19,22,34H,13-14,16-18,20H2,1H3.
What are the key properties of 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one?
3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 454.57 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 10766154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).