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

C20H16FN9 — CID 62705990

IUPAC3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4ccccc4F)cn23)n1
InChIInChI=1S/C20H16FN9/c1-11-24-18(28-20(22)25-11)17-19(26-15-8-9-23-29-15)27-16-7-6-12(10-30(16)17)13-4-2-3-5-14(13)21/h2-10H,1H3,(H2,23,26,29)(H2,22,24,25,28)
InChIKeyUUUGUCCOXDAVOY-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.35
Rot. Bonds4

About 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-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-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 62705990) has the molecular formula C20H16FN9 and a molecular weight of 401.41 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-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-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
PubChem CID62705990
Molecular FormulaC20H16FN9
Molecular Weight401.41 g/mol
Exact Mass401.15
IUPAC Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4ccccc4F)cn23)n1
InChIInChI=1S/C20H16FN9/c1-11-24-18(28-20(22)25-11)17-19(26-15-8-9-23-29-15)27-16-7-6-12(10-30(16)17)13-4-2-3-5-14(13)21/h2-10H,1H3,(H2,23,26,29)(H2,22,24,25,28)
InChIKeyUUUGUCCOXDAVOY-UHFFFAOYSA-N
XLogP3.35
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.35
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-fluorophenyl)-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-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine (CID 62705990) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine is Cc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4ccccc4F)cn23)n1.
What is the InChIKey of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is UUUGUCCOXDAVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN9/c1-11-24-18(28-20(22)25-11)17-19(26-15-8-9-23-29-15)27-16-7-6-12(10-30(16)17)13-4-2-3-5-14(13)21/h2-10H,1H3,(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-fluorophenyl)-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-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 401.41 g/mol, XLogP of 3.35, 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-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 62705990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).