N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C16H15N9O — CID 118216820

IUPACN-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCNC(=O)c1nnc2cc(-c3ccnc(Nc4ccnn4C)n3)ccn12
InChIInChI=1S/C16H15N9O/c1-17-15(26)14-23-22-13-9-10(5-8-25(13)14)11-3-6-18-16(20-11)21-12-4-7-19-24(12)2/h3-9H,1-2H3,(H,17,26)(H,18,20,21)
InChIKeyWJQVMYTUYZFNLW-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.02
Rot. Bonds4

About N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 118216820) has the molecular formula C16H15N9O and a molecular weight of 349.36 g/mol. Its IUPAC name is N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID118216820
Molecular FormulaC16H15N9O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCNC(=O)c1nnc2cc(-c3ccnc(Nc4ccnn4C)n3)ccn12
InChIInChI=1S/C16H15N9O/c1-17-15(26)14-23-22-13-9-10(5-8-25(13)14)11-3-6-18-16(20-11)21-12-4-7-19-24(12)2/h3-9H,1-2H3,(H,17,26)(H,18,20,21)
InChIKeyWJQVMYTUYZFNLW-UHFFFAOYSA-N
XLogP1.02
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 118216820) is N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is CNC(=O)c1nnc2cc(-c3ccnc(Nc4ccnn4C)n3)ccn12.
What is the InChIKey of N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is WJQVMYTUYZFNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9O/c1-17-15(26)14-23-22-13-9-10(5-8-25(13)14)11-3-6-18-16(20-11)21-12-4-7-19-24(12)2/h3-9H,1-2H3,(H,17,26)(H,18,20,21).
What are the key properties of N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 118216820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).