3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine

C18H15N9 — CID 67535551

IUPAC3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3cccc4[nH]ncc34)nc3ccccn23)n1
InChIInChI=1S/C18H15N9/c1-10-21-16(25-18(19)22-10)15-17(24-14-7-2-3-8-27(14)15)23-12-5-4-6-13-11(12)9-20-26-13/h2-9,23H,1H3,(H,20,26)(H2,19,21,22,25)
InChIKeyVJDWLNYNYCCEMY-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.70
Rot. Bonds3

About 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 67535551) has the molecular formula C18H15N9 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine
PubChem CID67535551
Molecular FormulaC18H15N9
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3cccc4[nH]ncc34)nc3ccccn23)n1
InChIInChI=1S/C18H15N9/c1-10-21-16(25-18(19)22-10)15-17(24-14-7-2-3-8-27(14)15)23-12-5-4-6-13-11(12)9-20-26-13/h2-9,23H,1H3,(H,20,26)(H2,19,21,22,25)
InChIKeyVJDWLNYNYCCEMY-UHFFFAOYSA-N
XLogP2.70
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine (CID 67535551) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine is Cc1nc(N)nc(-c2c(Nc3cccc4[nH]ncc34)nc3ccccn23)n1.
What is the InChIKey of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is VJDWLNYNYCCEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N9/c1-10-21-16(25-18(19)22-10)15-17(24-14-7-2-3-8-27(14)15)23-12-5-4-6-13-11(12)9-20-26-13/h2-9,23H,1H3,(H,20,26)(H2,19,21,22,25).
What are the key properties of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine?
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 357.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 67535551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).