6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile

C25H19ClN8 — CID 137430988

IUPAC6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
SMILESCn1ccc(-c2nc(NCCc3ccncc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H19ClN8/c1-34-12-7-20(33-34)24-23(18-13-17-3-2-8-29-22(17)19(26)14-18)31-21(15-27)25(32-24)30-11-6-16-4-9-28-10-5-16/h2-5,7-10,12-14H,6,11H2,1H3,(H,30,32)
InChIKeyQADPZFQEPDZBEL-UHFFFAOYSA-N
MW466.94 g/mol
LogP4.67
Rot. Bonds6

About 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile

6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile (PubChem CID 137430988) has the molecular formula C25H19ClN8 and a molecular weight of 466.94 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
PubChem CID137430988
Molecular FormulaC25H19ClN8
Molecular Weight466.94 g/mol
Exact Mass466.14
IUPAC Name6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
SMILESCn1ccc(-c2nc(NCCc3ccncc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H19ClN8/c1-34-12-7-20(33-34)24-23(18-13-17-3-2-8-29-22(17)19(26)14-18)31-21(15-27)25(32-24)30-11-6-16-4-9-28-10-5-16/h2-5,7-10,12-14H,6,11H2,1H3,(H,30,32)
InChIKeyQADPZFQEPDZBEL-UHFFFAOYSA-N
XLogP4.67
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile (CID 137430988) is 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile is Cn1ccc(-c2nc(NCCc3ccncc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile?
The InChIKey is QADPZFQEPDZBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN8/c1-34-12-7-20(33-34)24-23(18-13-17-3-2-8-29-22(17)19(26)14-18)31-21(15-27)25(32-24)30-11-6-16-4-9-28-10-5-16/h2-5,7-10,12-14H,6,11H2,1H3,(H,30,32).
What are the key properties of 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile?
6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile has a molecular weight of 466.94 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).