5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one

C16H23ClN4O — CID 123368480

IUPAC5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)CC1CCCN(c2cc(Cl)nc3c2[nH]c(=O)n3C)C1
InChIInChI=1S/C16H23ClN4O/c1-10(2)7-11-5-4-6-21(9-11)12-8-13(17)18-15-14(12)19-16(22)20(15)3/h8,10-11H,4-7,9H2,1-3H3,(H,19,22)
InChIKeyDQQLQVRDJLUIOA-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.18
Rot. Bonds3

About 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one

5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 123368480) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID123368480
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)CC1CCCN(c2cc(Cl)nc3c2[nH]c(=O)n3C)C1
InChIInChI=1S/C16H23ClN4O/c1-10(2)7-11-5-4-6-21(9-11)12-8-13(17)18-15-14(12)19-16(22)20(15)3/h8,10-11H,4-7,9H2,1-3H3,(H,19,22)
InChIKeyDQQLQVRDJLUIOA-UHFFFAOYSA-N
XLogP3.18
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 123300131
3-methyl-7-(3-methylbutyl)-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 931742
5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122048917
[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
CID 70975673
2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 123181413
2-[[7-[(3R)-3-aminopiperidin-1-yl]-5-chloro-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 53312325
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 40692634
2-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 61404286
4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822001

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one (CID 123368480) is 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one is CC(C)CC1CCCN(c2cc(Cl)nc3c2[nH]c(=O)n3C)C1.
What is the InChIKey of 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DQQLQVRDJLUIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-10(2)7-11-5-4-6-21(9-11)12-8-13(17)18-15-14(12)19-16(22)20(15)3/h8,10-11H,4-7,9H2,1-3H3,(H,19,22).
What are the key properties of 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one?
5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 322.84 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123368480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).