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

C24H23ClN8O2 — CID 137430215

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1=O
InChIInChI=1S/C24H23ClN8O2/c1-32-8-5-14(12-18(32)34)24(35)30-23-22(26)28-21(17-6-9-33(2)31-17)20(29-23)15-10-13-4-3-7-27-19(13)16(25)11-15/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3,(H2,26,28)(H,29,30,35)
InChIKeyLWGWDGNWOWBONE-UHFFFAOYSA-N
MW490.96 g/mol
LogP3.13
Rot. Bonds4

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 137430215) has the molecular formula C24H23ClN8O2 and a molecular weight of 490.96 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID137430215
Molecular FormulaC24H23ClN8O2
Molecular Weight490.96 g/mol
Exact Mass490.16
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1=O
InChIInChI=1S/C24H23ClN8O2/c1-32-8-5-14(12-18(32)34)24(35)30-23-22(26)28-21(17-6-9-33(2)31-17)20(29-23)15-10-13-4-3-7-27-19(13)16(25)11-15/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3,(H2,26,28)(H,29,30,35)
InChIKeyLWGWDGNWOWBONE-UHFFFAOYSA-N
XLogP3.13
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.96
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 137430215) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1=O.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is LWGWDGNWOWBONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8O2/c1-32-8-5-14(12-18(32)34)24(35)30-23-22(26)28-21(17-6-9-33(2)31-17)20(29-23)15-10-13-4-3-7-27-19(13)16(25)11-15/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3,(H2,26,28)(H,29,30,35).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 490.96 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 137430215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).