[(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

C22H28N6O2S — CID 136619736

IUPAC[(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
SMILESCC(C)(O)c1csc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1
InChIInChI=1S/C22H28N6O2S/c1-22(2,30)16-13-31-20(24-16)19-23-15-7-8-17(25-18(15)26-19)28-11-5-6-14(12-28)21(29)27-9-3-4-10-27/h7-8,13-14,30H,3-6,9-12H2,1-2H3,(H,23,25,26)/t14-/m1/s1
InChIKeyAVMWWTOIPJUVDS-CQSZACIVSA-N
MW440.57 g/mol
LogP3.15
Rot. Bonds4

About [(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

[(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 (PubChem CID 136619736) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID136619736
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name[(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
SMILESCC(C)(O)c1csc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1
InChIInChI=1S/C22H28N6O2S/c1-22(2,30)16-13-31-20(24-16)19-23-15-7-8-17(25-18(15)26-19)28-11-5-6-14(12-28)21(29)27-9-3-4-10-27/h7-8,13-14,30H,3-6,9-12H2,1-2H3,(H,23,25,26)/t14-/m1/s1
InChIKeyAVMWWTOIPJUVDS-CQSZACIVSA-N
XLogP3.15
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
[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
[(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
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
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)(O)c1csc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1.
What is the InChIKey of [(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?
The InChIKey is AVMWWTOIPJUVDS-CQSZACIVSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-22(2,30)16-13-31-20(24-16)19-23-15-7-8-17(25-18(15)26-19)28-11-5-6-14(12-28)21(29)27-9-3-4-10-27/h7-8,13-14,30H,3-6,9-12H2,1-2H3,(H,23,25,26)/t14-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 440.57 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 136619736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).