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

C21H19N9 — CID 62706157

IUPAC3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4ccccc4C)cn23)n1
InChIInChI=1S/C21H19N9/c1-12-5-3-4-6-15(12)14-7-8-17-27-20(26-16-9-10-23-29-16)18(30(17)11-14)19-24-13(2)25-21(22)28-19/h3-11H,1-2H3,(H2,23,26,29)(H2,22,24,25,28)
InChIKeyADTCCVMJGTXFQL-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.52
Rot. Bonds4

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

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 62706157) has the molecular formula C21H19N9 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
PubChem CID62706157
Molecular FormulaC21H19N9
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4ccccc4C)cn23)n1
InChIInChI=1S/C21H19N9/c1-12-5-3-4-6-15(12)14-7-8-17-27-20(26-16-9-10-23-29-16)18(30(17)11-14)19-24-13(2)25-21(22)28-19/h3-11H,1-2H3,(H2,23,26,29)(H2,22,24,25,28)
InChIKeyADTCCVMJGTXFQL-UHFFFAOYSA-N
XLogP3.52
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.52
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)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine (CID 62706157) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-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)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine is Cc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4ccccc4C)cn23)n1.
What is the InChIKey of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is ADTCCVMJGTXFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9/c1-12-5-3-4-6-15(12)14-7-8-17-27-20(26-16-9-10-23-29-16)18(30(17)11-14)19-24-13(2)25-21(22)28-19/h3-11H,1-2H3,(H2,23,26,29)(H2,22,24,25,28).
What are the key properties of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 397.45 g/mol, XLogP of 3.52, 4 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)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 62706157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).