1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid

C18H13ClN4O3 — CID 134178984

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESCOc1ccc2c(n1)c(C(=O)O)nn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C18H13ClN4O3/c1-26-15-5-4-14-16(21-15)17(18(24)25)22-23(14)9-10-2-3-13-11(6-10)7-12(19)8-20-13/h2-8H,9H2,1H3,(H,24,25)
InChIKeyPAJZYMQKGGPKRF-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.39
Rot. Bonds4

About 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid

1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid (PubChem CID 134178984) has the molecular formula C18H13ClN4O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid
PubChem CID134178984
Molecular FormulaC18H13ClN4O3
Molecular Weight368.78 g/mol
Exact Mass368.07
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESCOc1ccc2c(n1)c(C(=O)O)nn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C18H13ClN4O3/c1-26-15-5-4-14-16(21-15)17(18(24)25)22-23(14)9-10-2-3-13-11(6-10)7-12(19)8-20-13/h2-8H,9H2,1H3,(H,24,25)
InChIKeyPAJZYMQKGGPKRF-UHFFFAOYSA-N
XLogP3.39
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid (CID 134178984) is 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid is COc1ccc2c(n1)c(C(=O)O)nn2Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is PAJZYMQKGGPKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3/c1-26-15-5-4-14-16(21-15)17(18(24)25)22-23(14)9-10-2-3-13-11(6-10)7-12(19)8-20-13/h2-8H,9H2,1H3,(H,24,25).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid?
1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 368.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 134178984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).