methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C17H19ClN4O3 — CID 167747210

IUPACmethyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(CNC(=O)c2cncc(Cl)c2C)nn2c1CCCC2
InChIInChI=1S/C17H19ClN4O3/c1-10-11(7-19-8-12(10)18)16(23)20-9-13-15(17(24)25-2)14-5-3-4-6-22(14)21-13/h7-8H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyKEGJFZGTTBRQMI-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.29
Rot. Bonds4

About methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 167747210) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID167747210
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Namemethyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(CNC(=O)c2cncc(Cl)c2C)nn2c1CCCC2
InChIInChI=1S/C17H19ClN4O3/c1-10-11(7-19-8-12(10)18)16(23)20-9-13-15(17(24)25-2)14-5-3-4-6-22(14)21-13/h7-8H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyKEGJFZGTTBRQMI-UHFFFAOYSA-N
XLogP2.29
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 167747210) is methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(CNC(=O)c2cncc(Cl)c2C)nn2c1CCCC2.
What is the InChIKey of methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is KEGJFZGTTBRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-10-11(7-19-8-12(10)18)16(23)20-9-13-15(17(24)25-2)14-5-3-4-6-22(14)21-13/h7-8H,3-6,9H2,1-2H3,(H,20,23).
What are the key properties of methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 362.82 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 167747210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).