tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine

C139H160N24O9 — CID 157357516

About tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine

tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine (PubChem CID 157357516) has the molecular formula C139H160N24O9 and a molecular weight of 2310.97 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine
• PubChem CID: 157357516
• Molecular Formula: C139H160N24O9
• Molecular Weight: 2310.97 g/mol
• Exact Mass: 2309.28
• IUPAC Name: tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine
• SMILES: CC(C)(C)OC(=O)Nc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.CN(C(=O)CN1CCCC1)c1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.CN(CCN1CCCC1)c1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C[C@@H](Cc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1)CN(C)C.c1cc(NC2CCCC2)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1
• InChI: InChI=1S/C31H37N5O2.C28H29N5O3.C28H31N5O2.C27H30N4O2.C25H33N5/c1-31(2,3)38-30(37)32-26-11-6-10-25(22-26)27-12-7-13-29-33-28(34-36(27)29)21-24-16-14-23(15-17-24)9-8-20-35-18-4-5-19-35;1-31(28(34)19-32-13-2-3-14-32)22-10-7-20(8-11-22)17-26-29-27-6-4-5-23(33(27)30-26)21-9-12-24-25(18-21)36-16-15-35-24;1-31(15-16-32-13-2-3-14-32)23-10-7-21(8-11-23)19-27-29-28-6-4-5-24(33(28)30-27)22-9-12-25-26(20-22)35-18-17-34-25;1-19(18-30(2)3)15-20-7-9-21(10-8-20)16-26-28-27-6-4-5-23(31(27)29-26)22-11-12-24-25(17-22)33-14-13-32-24;1-2-9-22(8-1)26-24-10-5-11-25-27-23(28-30(24)25)19-21-14-12-20(13-15-21)7-6-18-29-16-3-4-17-29/h6-7,10-17,22H,4-5,8-9,18-21H2,1-3H3,(H,32,37);4-12,18H,2-3,13-17,19H2,1H3;4-12,20H,2-3,13-19H2,1H3;4-12,17,19H,13-16,18H2,1-3H3;5,10-15,22,26H,1-4,6-9,16-19H2/t;;;19-;/m...0./s1
• InChIKey: BIGMNCKBVGFTPQ-NDQRINPDSA-N
• XLogP: 23.67
• TPSA: 296.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.97
LogP ≤ 5	23.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine?

The IUPAC name of tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine (CID 157357516) is tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine.

What is the SMILES notation for tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine?

The canonical SMILES for tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine is CC(C)(C)OC(=O)Nc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.CN(C(=O)CN1CCCC1)c1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.CN(CCN1CCCC1)c1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C[C@@H](Cc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1)CN(C)C.c1cc(NC2CCCC2)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1.

What is the InChIKey of tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine?

The InChIKey is BIGMNCKBVGFTPQ-NDQRINPDSA-N. The full InChI is InChI=1S/C31H37N5O2.C28H29N5O3.C28H31N5O2.C27H30N4O2.C25H33N5/c1-31(2,3)38-30(37)32-26-11-6-10-25(22-26)27-12-7-13-29-33-28(34-36(27)29)21-24-16-14-23(15-17-24)9-8-20-35-18-4-5-19-35;1-31(28(34)19-32-13-2-3-14-32)22-10-7-20(8-11-22)17-26-29-27-6-4-5-23(33(27)30-26)21-9-12-24-25(18-21)36-16-15-35-24;1-31(15-16-32-13-2-3-14-32)23-10-7-21(8-11-23)19-27-29-28-6-4-5-24(33(28)30-27)22-9-12-25-26(20-22)35-18-17-34-25;1-19(18-30(2)3)15-20-7-9-21(10-8-20)16-26-28-27-6-4-5-23(31(27)29-26)22-11-12-24-25(17-22)33-14-13-32-24;1-2-9-22(8-1)26-24-10-5-11-25-27-23(28-30(24)25)19-21-14-12-20(13-15-21)7-6-18-29-16-3-4-17-29/h6-7,10-17,22H,4-5,8-9,18-21H2,1-3H3,(H,32,37);4-12,18H,2-3,13-17,19H2,1H3;4-12,20H,2-3,13-19H2,1H3;4-12,17,19H,13-16,18H2,1-3H3;5,10-15,22,26H,1-4,6-9,16-19H2/t;;;19-;/m...0./s1.

What are the key properties of tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine?

tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine has a molecular weight of 2310.97 g/mol, XLogP of 23.67, 36 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]carbamate;N-cyclopentyl-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;N-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 157357516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).