2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C21H22N6O3S — CID 18313693

IUPAC2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cc(N)n4nc(-c5ccco5)nc4c3)cc2)CC1
InChIInChI=1S/C21H22N6O3S/c1-25-8-10-26(11-9-25)31(28,29)17-6-4-15(5-7-17)16-13-19(22)27-20(14-16)23-21(24-27)18-3-2-12-30-18/h2-7,12-14H,8-11,22H2,1H3
InChIKeyGHNQAINFKUWLTM-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.17
Rot. Bonds4

About 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313693) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313693
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC Name2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cc(N)n4nc(-c5ccco5)nc4c3)cc2)CC1
InChIInChI=1S/C21H22N6O3S/c1-25-8-10-26(11-9-25)31(28,29)17-6-4-15(5-7-17)16-13-19(22)27-20(14-16)23-21(24-27)18-3-2-12-30-18/h2-7,12-14H,8-11,22H2,1H3
InChIKeyGHNQAINFKUWLTM-UHFFFAOYSA-N
XLogP2.17
TPSA109.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313693) is 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is CN1CCN(S(=O)(=O)c2ccc(-c3cc(N)n4nc(-c5ccco5)nc4c3)cc2)CC1.
What is the InChIKey of 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is GHNQAINFKUWLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-25-8-10-26(11-9-25)31(28,29)17-6-4-15(5-7-17)16-13-19(22)27-20(14-16)23-21(24-27)18-3-2-12-30-18/h2-7,12-14H,8-11,22H2,1H3.
What are the key properties of 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 438.51 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).