1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine

C29H35N5 — CID 138578765

About 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine

1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine (PubChem CID 138578765) has the molecular formula C29H35N5 and a molecular weight of 453.63 g/mol. Its IUPAC name is 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine.

Molecular Properties

• Compound Name: 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
• PubChem CID: 138578765
• Molecular Formula: C29H35N5
• Molecular Weight: 453.63 g/mol
• Exact Mass: 453.29
• IUPAC Name: 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
• SMILES: C=C(c1ccn2c(CCC)c(-c3cc4ccccc4n3CC3CC3)nc2c1)N1CCCC(N)C1
• InChI: InChI=1S/C29H35N5/c1-3-7-26-29(27-16-23-8-4-5-10-25(23)34(27)18-21-11-12-21)31-28-17-22(13-15-33(26)28)20(2)32-14-6-9-24(30)19-32/h4-5,8,10,13,15-17,21,24H,2-3,6-7,9,11-12,14,18-19,30H2,1H3
• InChIKey: FYBWKVLVGVNPMX-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 51.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.63
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?

The IUPAC name of 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine (CID 138578765) is 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine.

What is the SMILES notation for 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?

The canonical SMILES for 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine is C=C(c1ccn2c(CCC)c(-c3cc4ccccc4n3CC3CC3)nc2c1)N1CCCC(N)C1.

What is the InChIKey of 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?

The InChIKey is FYBWKVLVGVNPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5/c1-3-7-26-29(27-16-23-8-4-5-10-25(23)34(27)18-21-11-12-21)31-28-17-22(13-15-33(26)28)20(2)32-14-6-9-24(30)19-32/h4-5,8,10,13,15-17,21,24H,2-3,6-7,9,11-12,14,18-19,30H2,1H3.

What are the key properties of 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?

1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine has a molecular weight of 453.63 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine is sourced from PubChem (CID 138578765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).