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

C86H89N19O4 — CID 158619262

IUPAC5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nn(C)c(C)c1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.Cn1nccc1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(-c2ccco2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C30H33N7O.C28H29N7O.C28H27N5O2/c1-21-29(22(2)35(3)33-21)24-9-6-8-23(20-24)27-10-7-11-28-32-30(34-37(27)28)31-25-12-14-26(15-13-25)38-19-18-36-16-4-5-17-36;1-33-25(14-15-29-33)21-6-4-7-22(20-21)26-8-5-9-27-31-28(32-35(26)27)30-23-10-12-24(13-11-23)36-19-18-34-16-2-3-17-34;1-2-16-32(15-1)17-19-34-24-13-11-23(12-14-24)29-28-30-27-10-4-8-25(33(27)31-28)21-6-3-7-22(20-21)26-9-5-18-35-26/h6-15,20H,4-5,16-19H2,1-3H3,(H,31,34);4-15,20H,2-3,16-19H2,1H3,(H,30,32);3-14,18,20H,1-2,15-17,19H2,(H,29,31)
InChIKeyHXUDAIFMNRJUAJ-UHFFFAOYSA-N
MW1452.79 g/mol
LogP16.52
Rot. Bonds24

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

5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158619262) has the molecular formula C86H89N19O4 and a molecular weight of 1452.79 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID158619262
Molecular FormulaC86H89N19O4
Molecular Weight1452.79 g/mol
Exact Mass1451.73
IUPAC Name5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nn(C)c(C)c1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.Cn1nccc1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(-c2ccco2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C30H33N7O.C28H29N7O.C28H27N5O2/c1-21-29(22(2)35(3)33-21)24-9-6-8-23(20-24)27-10-7-11-28-32-30(34-37(27)28)31-25-12-14-26(15-13-25)38-19-18-36-16-4-5-17-36;1-33-25(14-15-29-33)21-6-4-7-22(20-21)26-8-5-9-27-31-28(32-35(26)27)30-23-10-12-24(13-11-23)36-19-18-34-16-2-3-17-34;1-2-16-32(15-1)17-19-34-24-13-11-23(12-14-24)29-28-30-27-10-4-8-25(33(27)31-28)21-6-3-7-22(20-21)26-9-5-18-35-26/h6-15,20H,4-5,16-19H2,1-3H3,(H,31,34);4-15,20H,2-3,16-19H2,1H3,(H,30,32);3-14,18,20H,1-2,15-17,19H2,(H,29,31)
InChIKeyHXUDAIFMNRJUAJ-UHFFFAOYSA-N
XLogP16.52
TPSA212.85 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.79
LogP ≤ 516.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

US11472811, Example 46
CID 146186370
US11472811, Example 44
CID 146186378
2-[2-[2-[2-[2-[[2-[4-[4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)pentyl]acetamide
CID 162677684
5-[2-[4-(2-Fluoro-4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146467316
2-[2-[4-[4-[2-[8-Amino-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl]ethyl]piperazin-1-yl]-3-fluorophenoxy]ethylamino]acetamide
CID 146467373
5-[2-[4-[2,4-Difluoro-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146467564
5-[2-[4-[2-fluoro-4-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146467589
5-[2-[4-[2-Fluoro-4-(morpholin-3-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146467603
5-[2-[4-[2,4-difluoro-5-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146467708
5-[2-[4-[2-fluoro-4-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146467770
2-amino-N-[2-[4-[4-[2-[8-amino-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl]ethyl]piperazin-1-yl]-3-fluorophenoxy]ethyl]acetamide
CID 146467909
5-[2-[4-[2-Fluoro-4-(morpholin-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146468009

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158619262) is 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nn(C)c(C)c1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.Cn1nccc1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(-c2ccco2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HXUDAIFMNRJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O.C28H29N7O.C28H27N5O2/c1-21-29(22(2)35(3)33-21)24-9-6-8-23(20-24)27-10-7-11-28-32-30(34-37(27)28)31-25-12-14-26(15-13-25)38-19-18-36-16-4-5-17-36;1-33-25(14-15-29-33)21-6-4-7-22(20-21)26-8-5-9-27-31-28(32-35(26)27)30-23-10-12-24(13-11-23)36-19-18-34-16-2-3-17-34;1-2-16-32(15-1)17-19-34-24-13-11-23(12-14-24)29-28-30-27-10-4-8-25(33(27)31-28)21-6-3-7-22(20-21)26-9-5-18-35-26/h6-15,20H,4-5,16-19H2,1-3H3,(H,31,34);4-15,20H,2-3,16-19H2,1H3,(H,30,32);3-14,18,20H,1-2,15-17,19H2,(H,29,31).
What are the key properties of 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1452.79 g/mol, XLogP of 16.52, 24 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2-methylpyrazol-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158619262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).