N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H23N5OS — CID 59589849

IUPACN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1cc(-c2ccsc2)n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C22H23N5OS/c1-2-12-26(11-1)13-14-28-19-8-6-18(7-9-19)23-22-24-21-5-3-4-20(27(21)25-22)17-10-15-29-16-17/h3-10,15-16H,1-2,11-14H2,(H,23,25)
InChIKeyICNGKNJASZPSJS-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.68
Rot. Bonds7

About N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589849) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589849
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1cc(-c2ccsc2)n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C22H23N5OS/c1-2-12-26(11-1)13-14-28-19-8-6-18(7-9-19)23-22-24-21-5-3-4-20(27(21)25-22)17-10-15-29-16-17/h3-10,15-16H,1-2,11-14H2,(H,23,25)
InChIKeyICNGKNJASZPSJS-UHFFFAOYSA-N
XLogP4.68
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589849) is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1cc(-c2ccsc2)n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2c1.
What is the InChIKey of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ICNGKNJASZPSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-2-12-26(11-1)13-14-28-19-8-6-18(7-9-19)23-22-24-21-5-3-4-20(27(21)25-22)17-10-15-29-16-17/h3-10,15-16H,1-2,11-14H2,(H,23,25).
What are the key properties of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 405.53 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).