4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one

C22H18ClN7O2 — CID 137430350

IUPAC4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one
SMILESCn1ccc(-c2nc(N)c(C(=O)C3CNC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C22H18ClN7O2/c1-30-6-4-15(29-30)19-18(12-7-11-3-2-5-25-17(11)14(23)8-12)27-20(22(24)28-19)21(32)13-9-16(31)26-10-13/h2-8,13H,9-10H2,1H3,(H2,24,28)(H,26,31)
InChIKeyBJHKLYJKCOIGLK-UHFFFAOYSA-N
MW447.89 g/mol
LogP2.65
Rot. Bonds4

About 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one

4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one (PubChem CID 137430350) has the molecular formula C22H18ClN7O2 and a molecular weight of 447.89 g/mol. Its IUPAC name is 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one
PubChem CID137430350
Molecular FormulaC22H18ClN7O2
Molecular Weight447.89 g/mol
Exact Mass447.12
IUPAC Name4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one
SMILESCn1ccc(-c2nc(N)c(C(=O)C3CNC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C22H18ClN7O2/c1-30-6-4-15(29-30)19-18(12-7-11-3-2-5-25-17(11)14(23)8-12)27-20(22(24)28-19)21(32)13-9-16(31)26-10-13/h2-8,13H,9-10H2,1H3,(H2,24,28)(H,26,31)
InChIKeyBJHKLYJKCOIGLK-UHFFFAOYSA-N
XLogP2.65
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.89
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one (CID 137430350) is 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one is Cn1ccc(-c2nc(N)c(C(=O)C3CNC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one?
The InChIKey is BJHKLYJKCOIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O2/c1-30-6-4-15(29-30)19-18(12-7-11-3-2-5-25-17(11)14(23)8-12)27-20(22(24)28-19)21(32)13-9-16(31)26-10-13/h2-8,13H,9-10H2,1H3,(H2,24,28)(H,26,31).
What are the key properties of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one?
4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one has a molecular weight of 447.89 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 137430350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).