3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide

C25H21ClN8O — CID 137430852

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-n3ccc(C)n3)nc2N)nc1
InChIInChI=1S/C25H21ClN8O/c1-14-5-6-18(29-12-14)13-30-25(35)22-23(27)32-24(34-9-7-15(2)33-34)21(31-22)17-10-16-4-3-8-28-20(16)19(26)11-17/h3-12H,13H2,1-2H3,(H2,27,32)(H,30,35)
InChIKeyVFOKISWMQNZOLG-UHFFFAOYSA-N
MW484.95 g/mol
LogP4.05
Rot. Bonds5

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 137430852) has the molecular formula C25H21ClN8O and a molecular weight of 484.95 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID137430852
Molecular FormulaC25H21ClN8O
Molecular Weight484.95 g/mol
Exact Mass484.15
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-n3ccc(C)n3)nc2N)nc1
InChIInChI=1S/C25H21ClN8O/c1-14-5-6-18(29-12-14)13-30-25(35)22-23(27)32-24(34-9-7-15(2)33-34)21(31-22)17-10-16-4-3-8-28-20(16)19(26)11-17/h3-12H,13H2,1-2H3,(H2,27,32)(H,30,35)
InChIKeyVFOKISWMQNZOLG-UHFFFAOYSA-N
XLogP4.05
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide (CID 137430852) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-n3ccc(C)n3)nc2N)nc1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is VFOKISWMQNZOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8O/c1-14-5-6-18(29-12-14)13-30-25(35)22-23(27)32-24(34-9-7-15(2)33-34)21(31-22)17-10-16-4-3-8-28-20(16)19(26)11-17/h3-12H,13H2,1-2H3,(H2,27,32)(H,30,35).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 484.95 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 137430852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).