4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

C22H24N10 — CID 118216865

IUPAC4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCC(C)Cc1nn(C)cc1-c1nnc2cc(-c3ccnc(Nc4ccnn4C)n3)ccn12
InChIInChI=1S/C22H24N10/c1-14(2)11-18-16(13-30(3)29-18)21-28-27-20-12-15(7-10-32(20)21)17-5-8-23-22(25-17)26-19-6-9-24-31(19)4/h5-10,12-14H,11H2,1-4H3,(H,23,25,26)
InChIKeyBGFIGLQSLNAWNI-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.26
Rot. Bonds6

About 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 118216865) has the molecular formula C22H24N10 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID118216865
Molecular FormulaC22H24N10
Molecular Weight428.50 g/mol
Exact Mass428.22
IUPAC Name4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCC(C)Cc1nn(C)cc1-c1nnc2cc(-c3ccnc(Nc4ccnn4C)n3)ccn12
InChIInChI=1S/C22H24N10/c1-14(2)11-18-16(13-30(3)29-18)21-28-27-20-12-15(7-10-32(20)21)17-5-8-23-22(25-17)26-19-6-9-24-31(19)4/h5-10,12-14H,11H2,1-4H3,(H,23,25,26)
InChIKeyBGFIGLQSLNAWNI-UHFFFAOYSA-N
XLogP3.26
TPSA103.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (CID 118216865) is 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is CC(C)Cc1nn(C)cc1-c1nnc2cc(-c3ccnc(Nc4ccnn4C)n3)ccn12.
What is the InChIKey of 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is BGFIGLQSLNAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10/c1-14(2)11-18-16(13-30(3)29-18)21-28-27-20-12-15(7-10-32(20)21)17-5-8-23-22(25-17)26-19-6-9-24-31(19)4/h5-10,12-14H,11H2,1-4H3,(H,23,25,26).
What are the key properties of 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 428.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 118216865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).