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

C28H27N5OS — CID 59590096

IUPACN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1cc(-c2ccc(-c3ccsc3)cc2)n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C28H27N5OS/c1-2-16-32(15-1)17-18-34-25-12-10-24(11-13-25)29-28-30-27-5-3-4-26(33(27)31-28)22-8-6-21(7-9-22)23-14-19-35-20-23/h3-14,19-20H,1-2,15-18H2,(H,29,31)
InChIKeyDTVBLNBMFCUQRO-UHFFFAOYSA-N
MW481.63 g/mol
LogP6.34
Rot. Bonds8

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

N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59590096) has the molecular formula C28H27N5OS and a molecular weight of 481.63 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59590096
Molecular FormulaC28H27N5OS
Molecular Weight481.63 g/mol
Exact Mass481.19
IUPAC NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1cc(-c2ccc(-c3ccsc3)cc2)n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C28H27N5OS/c1-2-16-32(15-1)17-18-34-25-12-10-24(11-13-25)29-28-30-27-5-3-4-26(33(27)31-28)22-8-6-21(7-9-22)23-14-19-35-20-23/h3-14,19-20H,1-2,15-18H2,(H,29,31)
InChIKeyDTVBLNBMFCUQRO-UHFFFAOYSA-N
XLogP6.34
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.63
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-Chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-n3-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1h-1,2,4-triazole-3,5-diamine
CID 24987312
N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
CID 51037081
1-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazole-3,5-diamine
CID 69270579
5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59612337
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
CID 67479243
N-(2-phenoxyethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 49778155
n3-(3-Fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1h-1,2,4-triazole-3,5-diamine
CID 24987668
[5-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
CID 59590148
6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine
CID 59837629
[8-(3-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
CID 67479013
6-[[5-(4-Tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
CID 24236825
2-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49790461

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59590096) is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1cc(-c2ccc(-c3ccsc3)cc2)n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2c1.
What is the InChIKey of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DTVBLNBMFCUQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5OS/c1-2-16-32(15-1)17-18-34-25-12-10-24(11-13-25)29-28-30-27-5-3-4-26(33(27)31-28)22-8-6-21(7-9-22)23-14-19-35-20-23/h3-14,19-20H,1-2,15-18H2,(H,29,31).
What are the key properties of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 481.63 g/mol, XLogP of 6.34, 8 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-(4-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59590096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).