3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide

C25H19ClFN7O — CID 137430916

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide
SMILESCc1ccn(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H19ClFN7O/c1-14-8-10-34(33-14)24-21(17-11-16-3-2-9-29-20(16)19(26)12-17)31-22(23(28)32-24)25(35)30-13-15-4-6-18(27)7-5-15/h2-12H,13H2,1H3,(H2,28,32)(H,30,35)
InChIKeyMIAVJWOUGWWEHL-UHFFFAOYSA-N
MW487.93 g/mol
LogP4.49
Rot. Bonds5

About 3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide (PubChem CID 137430916) has the molecular formula C25H19ClFN7O and a molecular weight of 487.93 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide
PubChem CID137430916
Molecular FormulaC25H19ClFN7O
Molecular Weight487.93 g/mol
Exact Mass487.13
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide
SMILESCc1ccn(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H19ClFN7O/c1-14-8-10-34(33-14)24-21(17-11-16-3-2-9-29-20(16)19(26)12-17)31-22(23(28)32-24)25(35)30-13-15-4-6-18(27)7-5-15/h2-12H,13H2,1H3,(H2,28,32)(H,30,35)
InChIKeyMIAVJWOUGWWEHL-UHFFFAOYSA-N
XLogP4.49
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.93
LogP ≤ 54.49
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-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide (CID 137430916) is 3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide is Cc1ccn(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is MIAVJWOUGWWEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN7O/c1-14-8-10-34(33-14)24-21(17-11-16-3-2-9-29-20(16)19(26)12-17)31-22(23(28)32-24)25(35)30-13-15-4-6-18(27)7-5-15/h2-12H,13H2,1H3,(H2,28,32)(H,30,35).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 487.93 g/mol, XLogP of 4.49, 5 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-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).