3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C21H18ClN7O — CID 137430752

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H18ClN7O/c1-29-8-6-15(28-29)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)26-19(20(23)27-18)21(30)25-13-4-5-13/h2-3,6-10,13H,4-5H2,1H3,(H2,23,27)(H,25,30)
InChIKeySUBLZRMIUPTFBN-UHFFFAOYSA-N
MW419.88 g/mol
LogP3.22
Rot. Bonds4

About 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 137430752) has the molecular formula C21H18ClN7O and a molecular weight of 419.88 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID137430752
Molecular FormulaC21H18ClN7O
Molecular Weight419.88 g/mol
Exact Mass419.13
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H18ClN7O/c1-29-8-6-15(28-29)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)26-19(20(23)27-18)21(30)25-13-4-5-13/h2-3,6-10,13H,4-5H2,1H3,(H2,23,27)(H,25,30)
InChIKeySUBLZRMIUPTFBN-UHFFFAOYSA-N
XLogP3.22
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 137430752) is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is SUBLZRMIUPTFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O/c1-29-8-6-15(28-29)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)26-19(20(23)27-18)21(30)25-13-4-5-13/h2-3,6-10,13H,4-5H2,1H3,(H2,23,27)(H,25,30).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 419.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).