pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

C24H16ClN9O2 — CID 137430403

IUPACpyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
SMILESCn1ccc(-c2nc(NC(=O)OCc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H16ClN9O2/c1-34-6-4-18(33-34)22-21(16-7-15-3-2-5-29-20(15)17(25)8-16)30-19(9-26)23(31-22)32-24(35)36-12-14-10-27-13-28-11-14/h2-8,10-11,13H,12H2,1H3,(H,31,32,35)
InChIKeyOOZWHSIORMUHEH-UHFFFAOYSA-N
MW497.91 g/mol
LogP4.16
Rot. Bonds5

About pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (PubChem CID 137430403) has the molecular formula C24H16ClN9O2 and a molecular weight of 497.91 g/mol. Its IUPAC name is pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Namepyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
PubChem CID137430403
Molecular FormulaC24H16ClN9O2
Molecular Weight497.91 g/mol
Exact Mass497.11
IUPAC Namepyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
SMILESCn1ccc(-c2nc(NC(=O)OCc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H16ClN9O2/c1-34-6-4-18(33-34)22-21(16-7-15-3-2-5-29-20(15)17(25)8-16)30-19(9-26)23(31-22)32-24(35)36-12-14-10-27-13-28-11-14/h2-8,10-11,13H,12H2,1H3,(H,31,32,35)
InChIKeyOOZWHSIORMUHEH-UHFFFAOYSA-N
XLogP4.16
TPSA144.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The IUPAC name of pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (CID 137430403) is pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.
What is the SMILES notation for pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The canonical SMILES for pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is Cn1ccc(-c2nc(NC(=O)OCc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The InChIKey is OOZWHSIORMUHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN9O2/c1-34-6-4-18(33-34)22-21(16-7-15-3-2-5-29-20(15)17(25)8-16)30-19(9-26)23(31-22)32-24(35)36-12-14-10-27-13-28-11-14/h2-8,10-11,13H,12H2,1H3,(H,31,32,35).
What are the key properties of pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate has a molecular weight of 497.91 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 137430403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).