3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine

C30H40N6 — CID 145431792

About 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine

3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine (PubChem CID 145431792) has the molecular formula C30H40N6 and a molecular weight of 484.69 g/mol. Its IUPAC name is 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine.

Molecular Properties

• Compound Name: 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine
• PubChem CID: 145431792
• Molecular Formula: C30H40N6
• Molecular Weight: 484.69 g/mol
• Exact Mass: 484.33
• IUPAC Name: 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine
• SMILES: C=C(CCN)N1CCC(c2ccc3[nH]c(-c4cn5ncnc5c(C)c4CCC)c(C(C)C)c3c2)CC1
• InChI: InChI=1S/C30H40N6/c1-6-7-24-21(5)30-32-18-33-36(30)17-26(24)29-28(19(2)3)25-16-23(8-9-27(25)34-29)22-11-14-35(15-12-22)20(4)10-13-31/h8-9,16-19,22,34H,4,6-7,10-15,31H2,1-3,5H3
• InChIKey: GDGTVYWTZYWUHU-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 75.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.69
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine?

The IUPAC name of 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine (CID 145431792) is 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine.

What is the SMILES notation for 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine?

The canonical SMILES for 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine is C=C(CCN)N1CCC(c2ccc3[nH]c(-c4cn5ncnc5c(C)c4CCC)c(C(C)C)c3c2)CC1.

What is the InChIKey of 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine?

The InChIKey is GDGTVYWTZYWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6/c1-6-7-24-21(5)30-32-18-33-36(30)17-26(24)29-28(19(2)3)25-16-23(8-9-27(25)34-29)22-11-14-35(15-12-22)20(4)10-13-31/h8-9,16-19,22,34H,4,6-7,10-15,31H2,1-3,5H3.

What are the key properties of 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine?

3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine has a molecular weight of 484.69 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(8-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]but-3-en-1-amine is sourced from PubChem (CID 145431792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).