3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C20H19FN6 — CID 75475511

IUPAC3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESFc1ccc(-c2nnc3n2CC(NCc2cccc4nccn24)CC3)cc1
InChIInChI=1S/C20H19FN6/c21-15-6-4-14(5-7-15)20-25-24-19-9-8-16(13-27(19)20)23-12-17-2-1-3-18-22-10-11-26(17)18/h1-7,10-11,16,23H,8-9,12-13H2
InChIKeyFDIZZUUYUZTUOB-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.84
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 75475511) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID75475511
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESFc1ccc(-c2nnc3n2CC(NCc2cccc4nccn24)CC3)cc1
InChIInChI=1S/C20H19FN6/c21-15-6-4-14(5-7-15)20-25-24-19-9-8-16(13-27(19)20)23-12-17-2-1-3-18-22-10-11-26(17)18/h1-7,10-11,16,23H,8-9,12-13H2
InChIKeyFDIZZUUYUZTUOB-UHFFFAOYSA-N
XLogP2.84
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 75475511) is 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Fc1ccc(-c2nnc3n2CC(NCc2cccc4nccn24)CC3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is FDIZZUUYUZTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c21-15-6-4-14(5-7-15)20-25-24-19-9-8-16(13-27(19)20)23-12-17-2-1-3-18-22-10-11-26(17)18/h1-7,10-11,16,23H,8-9,12-13H2.
What are the key properties of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 362.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 75475511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).