[1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C22H28N6OS — CID 136994907

IUPAC[1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1csc(-c2nc3nc(N4CCCC(C(=O)N5CCCC5)C4)ccc3[nH]2)n1
InChIInChI=1S/C22H28N6OS/c1-14(2)17-13-30-21(24-17)20-23-16-7-8-18(25-19(16)26-20)28-11-5-6-15(12-28)22(29)27-9-3-4-10-27/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,23,25,26)
InChIKeyMRIXDURRWYEMGS-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.04
Rot. Bonds4

About [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 136994907) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID136994907
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name[1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1csc(-c2nc3nc(N4CCCC(C(=O)N5CCCC5)C4)ccc3[nH]2)n1
InChIInChI=1S/C22H28N6OS/c1-14(2)17-13-30-21(24-17)20-23-16-7-8-18(25-19(16)26-20)28-11-5-6-15(12-28)22(29)27-9-3-4-10-27/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,23,25,26)
InChIKeyMRIXDURRWYEMGS-UHFFFAOYSA-N
XLogP4.04
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 136619664
[(3R)-1-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 136994914
[(3R)-1-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 136619736
N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide
CID 126515402
[(3R)-1-[2-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 158992430
[(3R)-1-[2-[(1R)-1-(4-fluoropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[(3R)-1-[2-[(1S)-1-(4-fluoropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 158628324
[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 136994907) is [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is CC(C)c1csc(-c2nc3nc(N4CCCC(C(=O)N5CCCC5)C4)ccc3[nH]2)n1.
What is the InChIKey of [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MRIXDURRWYEMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-14(2)17-13-30-21(24-17)20-23-16-7-8-18(25-19(16)26-20)28-11-5-6-15(12-28)22(29)27-9-3-4-10-27/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,23,25,26).
What are the key properties of [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 424.57 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 136994907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).