[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

C17H23N5OS — CID 163358227

IUPAC[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCn1c(N2CCC(C(=O)N3CCSCC3)CC2)nc2cccnc21
InChIInChI=1S/C17H23N5OS/c1-20-15-14(3-2-6-18-15)19-17(20)22-7-4-13(5-8-22)16(23)21-9-11-24-12-10-21/h2-3,6,13H,4-5,7-12H2,1H3
InChIKeyXULCVZJHNUVEQF-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.76
Rot. Bonds2

About [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163358227) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID163358227
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCn1c(N2CCC(C(=O)N3CCSCC3)CC2)nc2cccnc21
InChIInChI=1S/C17H23N5OS/c1-20-15-14(3-2-6-18-15)19-17(20)22-7-4-13(5-8-22)16(23)21-9-11-24-12-10-21/h2-3,6,13H,4-5,7-12H2,1H3
InChIKeyXULCVZJHNUVEQF-UHFFFAOYSA-N
XLogP1.76
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 155976040
1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154582460
1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46324847
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352856
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
N,1-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175650443
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
CID 172892577
[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434788
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539
[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 163358227) is [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is Cn1c(N2CCC(C(=O)N3CCSCC3)CC2)nc2cccnc21.
What is the InChIKey of [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is XULCVZJHNUVEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-20-15-14(3-2-6-18-15)19-17(20)22-7-4-13(5-8-22)16(23)21-9-11-24-12-10-21/h2-3,6,13H,4-5,7-12H2,1H3.
What are the key properties of [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 345.47 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163358227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).