3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide

C24H23ClN8O2 — CID 137430356

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NCCN3CCCC3=O)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H23ClN8O2/c1-32-10-6-17(31-32)21-20(15-12-14-4-2-7-27-19(14)16(25)13-15)29-22(23(26)30-21)24(35)28-8-11-33-9-3-5-18(33)34/h2,4,6-7,10,12-13H,3,5,8-9,11H2,1H3,(H2,26,30)(H,28,35)
InChIKeyZGQGEDHREJCTHY-UHFFFAOYSA-N
MW490.96 g/mol
LogP2.68
Rot. Bonds6

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 137430356) has the molecular formula C24H23ClN8O2 and a molecular weight of 490.96 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
PubChem CID137430356
Molecular FormulaC24H23ClN8O2
Molecular Weight490.96 g/mol
Exact Mass490.16
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NCCN3CCCC3=O)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H23ClN8O2/c1-32-10-6-17(31-32)21-20(15-12-14-4-2-7-27-19(14)16(25)13-15)29-22(23(26)30-21)24(35)28-8-11-33-9-3-5-18(33)34/h2,4,6-7,10,12-13H,3,5,8-9,11H2,1H3,(H2,26,30)(H,28,35)
InChIKeyZGQGEDHREJCTHY-UHFFFAOYSA-N
XLogP2.68
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.96
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide (CID 137430356) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NCCN3CCCC3=O)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is ZGQGEDHREJCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8O2/c1-32-10-6-17(31-32)21-20(15-12-14-4-2-7-27-19(14)16(25)13-15)29-22(23(26)30-21)24(35)28-8-11-33-9-3-5-18(33)34/h2,4,6-7,10,12-13H,3,5,8-9,11H2,1H3,(H2,26,30)(H,28,35).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 490.96 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 137430356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).