3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid

C18H13ClN6O2 — CID 137430357

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid
SMILESCn1ccc(-c2nc(N)c(C(=O)O)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C18H13ClN6O2/c1-25-6-4-12(24-25)15-14(22-16(18(26)27)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23)(H,26,27)
InChIKeyAQGWGQILJQGTTD-UHFFFAOYSA-N
MW380.80 g/mol
LogP3.03
Rot. Bonds3

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid (PubChem CID 137430357) has the molecular formula C18H13ClN6O2 and a molecular weight of 380.80 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid
PubChem CID137430357
Molecular FormulaC18H13ClN6O2
Molecular Weight380.80 g/mol
Exact Mass380.08
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid
SMILESCn1ccc(-c2nc(N)c(C(=O)O)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C18H13ClN6O2/c1-25-6-4-12(24-25)15-14(22-16(18(26)27)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23)(H,26,27)
InChIKeyAQGWGQILJQGTTD-UHFFFAOYSA-N
XLogP3.03
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chloro-5-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)pyridin-2-yl)-2H-1,2,3-triazole-4-carboxylic acid
CID 134609878
US10246442, Example 47
CID 56656300
US10301284, Example 21
CID 134178483
US10301284, Example 19
CID 134178487
5-(8-Chloro-6-quinolinyl)-6-(1-methyl-1H-pyrazol-3-yl)-2-pyrazinamine
CID 137423685
3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137423788
3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 154604614
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154604746
2-[3-Chloro-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-5-methyltriazole-4-carboxylic acid
CID 134609824
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430751
3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 137430916
3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430924

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid (CID 137430357) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid is Cn1ccc(-c2nc(N)c(C(=O)O)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The InChIKey is AQGWGQILJQGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O2/c1-25-6-4-12(24-25)15-14(22-16(18(26)27)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23)(H,26,27).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid has a molecular weight of 380.80 g/mol, XLogP of 3.03, 3 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)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 137430357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).