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

C22H26N6OS — CID 136994914

IUPAC[(3R)-1-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(c2ccc3[nH]c(-c4nc(C5CC5)cs4)nc3n2)C1)N1CCCC1
InChIInChI=1S/C22H26N6OS/c29-22(27-9-1-2-10-27)15-4-3-11-28(12-15)18-8-7-16-19(25-18)26-20(23-16)21-24-17(13-30-21)14-5-6-14/h7-8,13-15H,1-6,9-12H2,(H,23,25,26)/t15-/m1/s1
InChIKeyKXBPRIFYVYKDNI-OAHLLOKOSA-N
MW422.56 g/mol
LogP3.80
Rot. Bonds4

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

[(3R)-1-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 136994914) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is [(3R)-1-[2-(4-cyclopropyl-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-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID136994914
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name[(3R)-1-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(c2ccc3[nH]c(-c4nc(C5CC5)cs4)nc3n2)C1)N1CCCC1
InChIInChI=1S/C22H26N6OS/c29-22(27-9-1-2-10-27)15-4-3-11-28(12-15)18-8-7-16-19(25-18)26-20(23-16)21-24-17(13-30-21)14-5-6-14/h7-8,13-15H,1-6,9-12H2,(H,23,25,26)/t15-/m1/s1
InChIKeyKXBPRIFYVYKDNI-OAHLLOKOSA-N
XLogP3.80
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.80
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
[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-(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
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(4-cyclopropyl-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-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 136994914) is [(3R)-1-[2-(4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4nc(C5CC5)cs4)nc3n2)C1)N1CCCC1.
What is the InChIKey of [(3R)-1-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KXBPRIFYVYKDNI-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N6OS/c29-22(27-9-1-2-10-27)15-4-3-11-28(12-15)18-8-7-16-19(25-18)26-20(23-16)21-24-17(13-30-21)14-5-6-14/h7-8,13-15H,1-6,9-12H2,(H,23,25,26)/t15-/m1/s1.
What are the key properties of [(3R)-1-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 422.56 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 136994914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).