3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide

C24H23ClN8O2 — CID 137430680

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NCC3CCNC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H23ClN8O2/c1-33-8-5-17(32-33)21-20(15-10-14-3-2-6-28-19(14)16(25)11-15)30-22(23(26)31-21)24(35)29-12-13-4-7-27-18(34)9-13/h2-3,5-6,8,10-11,13H,4,7,9,12H2,1H3,(H2,26,31)(H,27,34)(H,29,35)
InChIKeyWUUWUWWRTZWHKZ-UHFFFAOYSA-N
MW490.96 g/mol
LogP2.58
Rot. Bonds5

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 137430680) 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-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID137430680
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-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NCC3CCNC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H23ClN8O2/c1-33-8-5-17(32-33)21-20(15-10-14-3-2-6-28-19(14)16(25)11-15)30-22(23(26)31-21)24(35)29-12-13-4-7-27-18(34)9-13/h2-3,5-6,8,10-11,13H,4,7,9,12H2,1H3,(H2,26,31)(H,27,34)(H,29,35)
InChIKeyWUUWUWWRTZWHKZ-UHFFFAOYSA-N
XLogP2.58
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.96
LogP ≤ 52.58
H-Bond Donors ≤ 53
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-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide (CID 137430680) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NCC3CCNC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is WUUWUWWRTZWHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8O2/c1-33-8-5-17(32-33)21-20(15-10-14-3-2-6-28-19(14)16(25)11-15)30-22(23(26)31-21)24(35)29-12-13-4-7-27-18(34)9-13/h2-3,5-6,8,10-11,13H,4,7,9,12H2,1H3,(H2,26,31)(H,27,34)(H,29,35).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(2-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 490.96 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 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-oxopiperidin-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 137430680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).