1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol

C27H31N5O2 — CID 23345144

IUPAC1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1
InChIInChI=1S/C27H31N5O2/c33-23(20-34-24-10-5-2-6-11-24)19-31-16-13-22(14-17-31)29-27-30-25-12-7-15-28-26(25)32(27)18-21-8-3-1-4-9-21/h1-12,15,22-23,33H,13-14,16-20H2,(H,29,30)
InChIKeyCGYQPWOEGMAZMS-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.80
Rot. Bonds9

About 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol

1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 23345144) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID23345144
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1
InChIInChI=1S/C27H31N5O2/c33-23(20-34-24-10-5-2-6-11-24)19-31-16-13-22(14-17-31)29-27-30-25-12-7-15-28-26(25)32(27)18-21-8-3-1-4-9-21/h1-12,15,22-23,33H,13-14,16-20H2,(H,29,30)
InChIKeyCGYQPWOEGMAZMS-UHFFFAOYSA-N
XLogP3.80
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid
CID 23042003
N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
CID 57116659
1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 70076254
1-(4-fluorophenyl)-4-[4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]butan-1-one
CID 12891588
(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
CID 129279650
4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
CID 139831398
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189852
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol dichloride
CID 21237844

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol (CID 23345144) is 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is CGYQPWOEGMAZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c33-23(20-34-24-10-5-2-6-11-24)19-31-16-13-22(14-17-31)29-27-30-25-12-7-15-28-26(25)32(27)18-21-8-3-1-4-9-21/h1-12,15,22-23,33H,13-14,16-20H2,(H,29,30).
What are the key properties of 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 457.58 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 23345144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).