6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one

C11H14ClN3O2 — CID 59594622

IUPAC6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C11H14ClN3O2/c1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17/h5-6,8,16H,2-4H2,1H3,(H,13,14,17)/t8-/m0/s1
InChIKeyUBZAWYVQYJXNNF-QMMMGPOBSA-N
MW255.70 g/mol
LogP1.71
Rot. Bonds4

About 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 59594622) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID59594622
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C11H14ClN3O2/c1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17/h5-6,8,16H,2-4H2,1H3,(H,13,14,17)/t8-/m0/s1
InChIKeyUBZAWYVQYJXNNF-QMMMGPOBSA-N
XLogP1.71
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

6-chloro-1,3-dimethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 767491
6-Chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 657849
US10343992, Example 267
CID 122590582
3-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 12445561
7-chloro-1H,2H,3H-imidazo(4,5-b)pyridin-2-one
CID 52181168
6-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 774353
Sdccgsbi-0662783.P001
CID 134794938
(3S)-N-(5-chloro-2-pyridinyl)-3-hydroxypyrrolidine-1-carboxamide
CID 72101731
1-(5-chloropyridin-3-yl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 137949640
N-(5-chloropyridin-3-yl)-3-(hydroxymethyl)azetidine-1-carboxamide
CID 138025858
6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 25093977
6-chloro-7-(4-fluorophenyl)-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 44183416

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 59594622) is 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is UBZAWYVQYJXNNF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17/h5-6,8,16H,2-4H2,1H3,(H,13,14,17)/t8-/m0/s1.
What are the key properties of 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 255.70 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 59594622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).