N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide

C24H23ClN8O2 — CID 137430658

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCn1ccc(-c2nc(N)c(NC(=O)CN3CCCCC3=O)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H23ClN8O2/c1-32-10-7-17(31-32)22-21(15-11-14-5-4-8-27-20(14)16(25)12-15)30-24(23(26)29-22)28-18(34)13-33-9-3-2-6-19(33)35/h4-5,7-8,10-12H,2-3,6,9,13H2,1H3,(H2,26,29)(H,28,30,34)
InChIKeyVASIKNMEIWLOIW-UHFFFAOYSA-N
MW490.96 g/mol
LogP3.28
Rot. Bonds5

About N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 137430658) 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]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID137430658
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]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCn1ccc(-c2nc(N)c(NC(=O)CN3CCCCC3=O)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H23ClN8O2/c1-32-10-7-17(31-32)22-21(15-11-14-5-4-8-27-20(14)16(25)12-15)30-24(23(26)29-22)28-18(34)13-33-9-3-2-6-19(33)35/h4-5,7-8,10-12H,2-3,6,9,13H2,1H3,(H2,26,29)(H,28,30,34)
InChIKeyVASIKNMEIWLOIW-UHFFFAOYSA-N
XLogP3.28
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.96
LogP ≤ 53.28
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]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide (CID 137430658) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide is Cn1ccc(-c2nc(N)c(NC(=O)CN3CCCCC3=O)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is VASIKNMEIWLOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8O2/c1-32-10-7-17(31-32)22-21(15-11-14-5-4-8-27-20(14)16(25)12-15)30-24(23(26)29-22)28-18(34)13-33-9-3-2-6-19(33)35/h4-5,7-8,10-12H,2-3,6,9,13H2,1H3,(H2,26,29)(H,28,30,34).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 490.96 g/mol, XLogP of 3.28, 5 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]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 137430658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).