2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C17H19N9 — CID 90183504

IUPAC2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)n[nH]1
InChIInChI=1S/C17H19N9/c1-9(2)26-11(4)21-12-8-19-15(7-13(12)26)22-14-5-6-18-16(23-14)17-20-10(3)24-25-17/h5-9H,1-4H3,(H,20,24,25)(H,18,19,22,23)
InChIKeyIDAGKOPEXFVCBY-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90183504) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID90183504
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC Name2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)n[nH]1
InChIInChI=1S/C17H19N9/c1-9(2)26-11(4)21-12-8-19-15(7-13(12)26)22-14-5-6-18-16(23-14)17-20-10(3)24-25-17/h5-9H,1-4H3,(H,20,24,25)(H,18,19,22,23)
InChIKeyIDAGKOPEXFVCBY-UHFFFAOYSA-N
XLogP2.95
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 90183504) is 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is Cc1nc(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)n[nH]1.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is IDAGKOPEXFVCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9/c1-9(2)26-11(4)21-12-8-19-15(7-13(12)26)22-14-5-6-18-16(23-14)17-20-10(3)24-25-17/h5-9H,1-4H3,(H,20,24,25)(H,18,19,22,23).
What are the key properties of 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 349.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).