2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid

C20H22N6O3S — CID 136619664

IUPAC2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2nc3nc(N4CCCC(C(=O)N5CCCC5)C4)ccc3[nH]2)n1
InChIInChI=1S/C20H22N6O3S/c27-19(25-7-1-2-8-25)12-4-3-9-26(10-12)15-6-5-13-16(23-15)24-17(21-13)18-22-14(11-30-18)20(28)29/h5-6,11-12H,1-4,7-10H2,(H,28,29)(H,21,23,24)
InChIKeyYVYUBCPZIPWXPP-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.62
Rot. Bonds4

About 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid

2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 136619664) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID136619664
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2nc3nc(N4CCCC(C(=O)N5CCCC5)C4)ccc3[nH]2)n1
InChIInChI=1S/C20H22N6O3S/c27-19(25-7-1-2-8-25)12-4-3-9-26(10-12)15-6-5-13-16(23-15)24-17(21-13)18-22-14(11-30-18)20(28)29/h5-6,11-12H,1-4,7-10H2,(H,28,29)(H,21,23,24)
InChIKeyYVYUBCPZIPWXPP-UHFFFAOYSA-N
XLogP2.62
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(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
[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
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95557966

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 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) is 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2nc3nc(N4CCCC(C(=O)N5CCCC5)C4)ccc3[nH]2)n1.
What is the InChIKey of 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YVYUBCPZIPWXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c27-19(25-7-1-2-8-25)12-4-3-9-26(10-12)15-6-5-13-16(23-15)24-17(21-13)18-22-14(11-30-18)20(28)29/h5-6,11-12H,1-4,7-10H2,(H,28,29)(H,21,23,24).
What are the key properties of 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid?
2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 426.50 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 136619664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).