[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone

C23H24N6OS — CID 165420195

IUPAC[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
SMILESCc1nc2c(C(=O)N3CCC(c4ccccc4)(c4csc(N)n4)CC3)ccnc2n1C
InChIInChI=1S/C23H24N6OS/c1-15-26-19-17(8-11-25-20(19)28(15)2)21(30)29-12-9-23(10-13-29,16-6-4-3-5-7-16)18-14-31-22(24)27-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,27)
InChIKeyFYTOKAFCPAZYJO-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.54
Rot. Bonds3

About [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone (PubChem CID 165420195) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
PubChem CID165420195
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
SMILESCc1nc2c(C(=O)N3CCC(c4ccccc4)(c4csc(N)n4)CC3)ccnc2n1C
InChIInChI=1S/C23H24N6OS/c1-15-26-19-17(8-11-25-20(19)28(15)2)21(30)29-12-9-23(10-13-29,16-6-4-3-5-7-16)18-14-31-22(24)27-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,27)
InChIKeyFYTOKAFCPAZYJO-UHFFFAOYSA-N
XLogP3.54
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 165418490
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 164691216
5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride
CID 166599817
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 163308956
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
CID 165419680
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 165427482

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone?
The IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone (CID 165420195) is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone.
What is the SMILES notation for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone?
The canonical SMILES for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone is Cc1nc2c(C(=O)N3CCC(c4ccccc4)(c4csc(N)n4)CC3)ccnc2n1C.
What is the InChIKey of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone?
The InChIKey is FYTOKAFCPAZYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-15-26-19-17(8-11-25-20(19)28(15)2)21(30)29-12-9-23(10-13-29,16-6-4-3-5-7-16)18-14-31-22(24)27-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,27).
What are the key properties of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone?
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone has a molecular weight of 432.55 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone is sourced from PubChem (CID 165420195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).