3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine

C22H21ClN6 — CID 68785884

IUPAC3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2cccc(Cl)c2cn1
InChIInChI=1S/C22H21ClN6/c23-19-3-1-2-14-9-20(26-11-17(14)19)16-8-15(10-27-22(16)24)18-12-28-29-21(18)13-4-6-25-7-5-13/h1-3,8-13,25H,4-7H2,(H2,24,27)(H,28,29)
InChIKeyLVCGOVDJEGAKRA-UHFFFAOYSA-N
MW404.91 g/mol
LogP4.39
Rot. Bonds3

About 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine

3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 68785884) has the molecular formula C22H21ClN6 and a molecular weight of 404.91 g/mol. Its IUPAC name is 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID68785884
Molecular FormulaC22H21ClN6
Molecular Weight404.91 g/mol
Exact Mass404.15
IUPAC Name3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2cccc(Cl)c2cn1
InChIInChI=1S/C22H21ClN6/c23-19-3-1-2-14-9-20(26-11-17(14)19)16-8-15(10-27-22(16)24)18-12-28-29-21(18)13-4-6-25-7-5-13/h1-3,8-13,25H,4-7H2,(H2,24,27)(H,28,29)
InChIKeyLVCGOVDJEGAKRA-UHFFFAOYSA-N
XLogP4.39
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine 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-(4-chlorophenyl)-1-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-4-amine
CID 6419381
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
CID 6419382
2-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
CID 22953665
2-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-decahydroisoquinoline
CID 23648271
1-[(3-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555464
4-(3-(4-chlorophenyl)-5-(1-(pyridin-4-ylmethyl)piperidin-4-yl)-1H-pyrazol-4-yl)pyrimidine
CID 46884730
4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(piperidin-4-yl)-pyridin-2-yl)pyrimidin-2-amine
CID 49840175
1-[(2-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536031
1-[(2,4-dichloro-6-methylphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536051
1-[(4-chloro-2-methylphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536054
1-[(2-chloro-6-methylphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536113
2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{1H-pyrazolo[3,4-d]pyrimidin-4-yl}pyridin-4-amine
CID 118211266

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine (CID 68785884) is 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2cccc(Cl)c2cn1.
What is the InChIKey of 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is LVCGOVDJEGAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6/c23-19-3-1-2-14-9-20(26-11-17(14)19)16-8-15(10-27-22(16)24)18-12-28-29-21(18)13-4-6-25-7-5-13/h1-3,8-13,25H,4-7H2,(H2,24,27)(H,28,29).
What are the key properties of 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 404.91 g/mol, XLogP of 4.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 68785884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).