N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

C23H22N6O2S — CID 53187296

IUPACN-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nc4ccc(-c5cncnc5)nc4s3)CC2)cc1
InChIInChI=1S/C23H22N6O2S/c1-31-18-4-2-17(3-5-18)26-21(30)15-8-10-29(11-9-15)23-28-20-7-6-19(27-22(20)32-23)16-12-24-14-25-13-16/h2-7,12-15H,8-11H2,1H3,(H,26,30)
InChIKeyVJZGYQYIXZHGTM-UHFFFAOYSA-N
MW446.54 g/mol
LogP4.01
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 53187296) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID53187296
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC NameN-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nc4ccc(-c5cncnc5)nc4s3)CC2)cc1
InChIInChI=1S/C23H22N6O2S/c1-31-18-4-2-17(3-5-18)26-21(30)15-8-10-29(11-9-15)23-28-20-7-6-19(27-22(20)32-23)16-12-24-14-25-13-16/h2-7,12-15H,8-11H2,1H3,(H,26,30)
InChIKeyVJZGYQYIXZHGTM-UHFFFAOYSA-N
XLogP4.01
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
CID 53187197
N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187286
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187293
N-[4-(dimethylamino)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611514
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 46245149
piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187334
N-ethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187270
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 90611616
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 53187296) is N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nc4ccc(-c5cncnc5)nc4s3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is VJZGYQYIXZHGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c1-31-18-4-2-17(3-5-18)26-21(30)15-8-10-29(11-9-15)23-28-20-7-6-19(27-22(20)32-23)16-12-24-14-25-13-16/h2-7,12-15H,8-11H2,1H3,(H,26,30).
What are the key properties of N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53187296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).