methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate

C18H14ClN3O3 — CID 123486112

IUPACmethyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(C3CC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H14ClN3O3/c1-25-18(24)13-4-2-3-12(20-13)17(23)15-14-8-7-11(19)9-22(14)21-16(15)10-5-6-10/h2-4,7-10H,5-6H2,1H3
InChIKeyPFNSBLLIDGNJNV-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.28
Rot. Bonds4

About methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate

methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (PubChem CID 123486112) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
PubChem CID123486112
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Namemethyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(C3CC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H14ClN3O3/c1-25-18(24)13-4-2-3-12(20-13)17(23)15-14-8-7-11(19)9-22(14)21-16(15)10-5-6-10/h2-4,7-10H,5-6H2,1H3
InChIKeyPFNSBLLIDGNJNV-UHFFFAOYSA-N
XLogP3.28
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (CID 123486112) is methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)c2c(C3CC3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is PFNSBLLIDGNJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-25-18(24)13-4-2-3-12(20-13)17(23)15-14-8-7-11(19)9-22(14)21-16(15)10-5-6-10/h2-4,7-10H,5-6H2,1H3.
What are the key properties of methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 355.78 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 123486112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).