cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate

C24H23ClN6O2 — CID 137430954

IUPACcyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
SMILESCn1ccc(-c2nc(N)c(C(=O)OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H23ClN6O2/c1-31-11-9-18(30-31)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)28-22(23(26)29-21)24(32)33-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,29)
InChIKeyKZPINBYSKUCJAR-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.82
Rot. Bonds4

About cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate

cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate (PubChem CID 137430954) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
PubChem CID137430954
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Namecyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
SMILESCn1ccc(-c2nc(N)c(C(=O)OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H23ClN6O2/c1-31-11-9-18(30-31)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)28-22(23(26)29-21)24(32)33-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,29)
InChIKeyKZPINBYSKUCJAR-UHFFFAOYSA-N
XLogP4.82
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?
The IUPAC name of cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate (CID 137430954) is cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate.
What is the SMILES notation for cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?
The canonical SMILES for cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate is Cn1ccc(-c2nc(N)c(C(=O)OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?
The InChIKey is KZPINBYSKUCJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-31-11-9-18(30-31)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)28-22(23(26)29-21)24(32)33-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,29).
What are the key properties of cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?
cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate has a molecular weight of 462.94 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 137430954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).