3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C23H22ClN7O — CID 137430745

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H22ClN7O/c1-31-10-8-17(30-31)20-19(14-11-13-5-4-9-26-18(13)16(24)12-14)28-21(22(25)29-20)23(32)27-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H2,25,29)(H,27,32)
InChIKeyAOIITZBGCAQGTP-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.00
Rot. Bonds4

About 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 137430745) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID137430745
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H22ClN7O/c1-31-10-8-17(30-31)20-19(14-11-13-5-4-9-26-18(13)16(24)12-14)28-21(22(25)29-20)23(32)27-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H2,25,29)(H,27,32)
InChIKeyAOIITZBGCAQGTP-UHFFFAOYSA-N
XLogP4.00
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 137430745) is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is AOIITZBGCAQGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-31-10-8-17(30-31)20-19(14-11-13-5-4-9-26-18(13)16(24)12-14)28-21(22(25)29-20)23(32)27-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H2,25,29)(H,27,32).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).