N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide

C16H17ClN4O3 — CID 71013262

IUPACN-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)NC2=C(Cl)C=NCC2C)c2cc(CO)nn12
InChIInChI=1S/C16H17ClN4O3/c1-9-6-18-7-12(17)15(9)19-16(23)11-3-4-14(24-2)21-13(11)5-10(8-22)20-21/h3-5,7,9,22H,6,8H2,1-2H3,(H,19,23)
InChIKeyVNFKNOJKRGDRHS-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.74
Rot. Bonds4

About N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide

N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 71013262) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID71013262
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)NC2=C(Cl)C=NCC2C)c2cc(CO)nn12
InChIInChI=1S/C16H17ClN4O3/c1-9-6-18-7-12(17)15(9)19-16(23)11-3-4-14(24-2)21-13(11)5-10(8-22)20-21/h3-5,7,9,22H,6,8H2,1-2H3,(H,19,23)
InChIKeyVNFKNOJKRGDRHS-UHFFFAOYSA-N
XLogP1.74
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (CID 71013262) is N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is COc1ccc(C(=O)NC2=C(Cl)C=NCC2C)c2cc(CO)nn12.
What is the InChIKey of N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is VNFKNOJKRGDRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-9-6-18-7-12(17)15(9)19-16(23)11-3-4-14(24-2)21-13(11)5-10(8-22)20-21/h3-5,7,9,22H,6,8H2,1-2H3,(H,19,23).
What are the key properties of N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-methyl-2,3-dihydropyridin-4-yl)-2-(hydroxymethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 71013262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).