1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone

C29H30N4O2 — CID 26352178

IUPAC1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(n2c([C@@H]3CCCO3)nc3cccnc32)CC1
InChIInChI=1S/C29H30N4O2/c34-29(26(21-9-3-1-4-10-21)22-11-5-2-6-12-22)32-18-15-23(16-19-32)33-27-24(13-7-17-30-27)31-28(33)25-14-8-20-35-25/h1-7,9-13,17,23,25-26H,8,14-16,18-20H2/t25-/m0/s1
InChIKeyQVRAMFJBACESDR-VWLOTQADSA-N
MW466.59 g/mol
LogP5.28
Rot. Bonds5

About 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone

1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone (PubChem CID 26352178) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone
PubChem CID26352178
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(n2c([C@@H]3CCCO3)nc3cccnc32)CC1
InChIInChI=1S/C29H30N4O2/c34-29(26(21-9-3-1-4-10-21)22-11-5-2-6-12-22)32-18-15-23(16-19-32)33-27-24(13-7-17-30-27)31-28(33)25-14-8-20-35-25/h1-7,9-13,17,23,25-26H,8,14-16,18-20H2/t25-/m0/s1
InChIKeyQVRAMFJBACESDR-VWLOTQADSA-N
XLogP5.28
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone with MolForge

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Related Compounds

[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42472309
(E)-3-(2-chlorophenyl)-1-[4-[2-[(2R)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 42471194
(E)-3-(4-methoxyphenyl)-1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 25325846
3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210
[5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42429133
3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45217578
2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 45167058
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162835
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
CID 16674773
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone (CID 26352178) is 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCC(n2c([C@@H]3CCCO3)nc3cccnc32)CC1.
What is the InChIKey of 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is QVRAMFJBACESDR-VWLOTQADSA-N. The full InChI is InChI=1S/C29H30N4O2/c34-29(26(21-9-3-1-4-10-21)22-11-5-2-6-12-22)32-18-15-23(16-19-32)33-27-24(13-7-17-30-27)31-28(33)25-14-8-20-35-25/h1-7,9-13,17,23,25-26H,8,14-16,18-20H2/t25-/m0/s1.
What are the key properties of 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone?
1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 466.59 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 26352178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).