N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide

C23H22N6OS — CID 158242384

IUPACN-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESNc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)s1
InChIInChI=1S/C23H22N6OS/c24-23-27-14-19(31-23)15-4-5-17-13-26-20(11-18(17)10-15)28-22(30)16-6-7-25-21(12-16)29-8-2-1-3-9-29/h4-7,10-14H,1-3,8-9H2,(H2,24,27)(H,26,28,30)
InChIKeyWQBRIDXRGPIBBB-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.58
Rot. Bonds4

About N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide

N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 158242384) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
PubChem CID158242384
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC NameN-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESNc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)s1
InChIInChI=1S/C23H22N6OS/c24-23-27-14-19(31-23)15-4-5-17-13-26-20(11-18(17)10-15)28-22(30)16-6-7-25-21(12-16)29-8-2-1-3-9-29/h4-7,10-14H,1-3,8-9H2,(H2,24,27)(H,26,28,30)
InChIKeyWQBRIDXRGPIBBB-UHFFFAOYSA-N
XLogP4.58
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-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

N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589244
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-[2-[iodo(methyl)amino]ethylamino]pyridine-4-carboxamide
CID 166787144
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-3-(cyclohexylmethyl)benzamide
CID 166786891
N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138586311
2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 147886278
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide
CID 145392365
N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 155141540
2-[4-(deuteriomethyl)piperazin-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 175806566
N-[6-(3,4-dihydropyridin-5-yl)isoquinolin-3-yl]-2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 145392153
N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
CID 166955080
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
N-methyl-5-[3-[1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethenylamino]isoquinolin-6-yl]-1,3-thiazol-2-amine
CID 166787436

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide (CID 158242384) is N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide is Nc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)s1.
What is the InChIKey of N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
The InChIKey is WQBRIDXRGPIBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c24-23-27-14-19(31-23)15-4-5-17-13-26-20(11-18(17)10-15)28-22(30)16-6-7-25-21(12-16)29-8-2-1-3-9-29/h4-7,10-14H,1-3,8-9H2,(H2,24,27)(H,26,28,30).
What are the key properties of N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 430.54 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 158242384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).