6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid

C24H18ClN7O3 — CID 154658230

IUPAC6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid
SMILESCn1ccc(-c2nc(N)c(OCc3ccc(C(=O)O)cn3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H18ClN7O3/c1-32-8-6-18(31-32)21-20(15-9-13-3-2-7-27-19(13)17(25)10-15)30-23(22(26)29-21)35-12-16-5-4-14(11-28-16)24(33)34/h2-11H,12H2,1H3,(H2,26,29)(H,33,34)
InChIKeyPUWHOZHNGDACGV-UHFFFAOYSA-N
MW487.91 g/mol
LogP4.00
Rot. Bonds6

About 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid

6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid (PubChem CID 154658230) has the molecular formula C24H18ClN7O3 and a molecular weight of 487.91 g/mol. Its IUPAC name is 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid
PubChem CID154658230
Molecular FormulaC24H18ClN7O3
Molecular Weight487.91 g/mol
Exact Mass487.12
IUPAC Name6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid
SMILESCn1ccc(-c2nc(N)c(OCc3ccc(C(=O)O)cn3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H18ClN7O3/c1-32-8-6-18(31-32)21-20(15-9-13-3-2-7-27-19(13)17(25)10-15)30-23(22(26)29-21)35-12-16-5-4-14(11-28-16)24(33)34/h2-11H,12H2,1H3,(H2,26,29)(H,33,34)
InChIKeyPUWHOZHNGDACGV-UHFFFAOYSA-N
XLogP4.00
TPSA141.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.91
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid (CID 154658230) is 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid is Cn1ccc(-c2nc(N)c(OCc3ccc(C(=O)O)cn3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid?
The InChIKey is PUWHOZHNGDACGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN7O3/c1-32-8-6-18(31-32)21-20(15-9-13-3-2-7-27-19(13)17(25)10-15)30-23(22(26)29-21)35-12-16-5-4-14(11-28-16)24(33)34/h2-11H,12H2,1H3,(H2,26,29)(H,33,34).
What are the key properties of 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid?
6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid has a molecular weight of 487.91 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154658230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).