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

C19H15ClN4O3 — CID 134178391

IUPACmethyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12
InChIInChI=1S/C19H15ClN4O3/c1-26-16-6-5-15-17(22-16)18(19(25)27-2)23-24(15)10-11-3-4-14-12(7-11)8-13(20)9-21-14/h3-9H,10H2,1-2H3
InChIKeyWIAHAWBYRMYZIA-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.48
Rot. Bonds4

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

methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 134178391) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate
PubChem CID134178391
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Namemethyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12
InChIInChI=1S/C19H15ClN4O3/c1-26-16-6-5-15-17(22-16)18(19(25)27-2)23-24(15)10-11-3-4-14-12(7-11)8-13(20)9-21-14/h3-9H,10H2,1-2H3
InChIKeyWIAHAWBYRMYZIA-UHFFFAOYSA-N
XLogP3.48
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate (CID 134178391) is methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate is COC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12.
What is the InChIKey of methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate?
The InChIKey is WIAHAWBYRMYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-26-16-6-5-15-17(22-16)18(19(25)27-2)23-24(15)10-11-3-4-14-12(7-11)8-13(20)9-21-14/h3-9H,10H2,1-2H3.
What are the key properties of methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate?
methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 382.81 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 134178391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).