N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide

C30H32F2N4O2 — CID 59762441

About N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide (PubChem CID 59762441) has the molecular formula C30H32F2N4O2 and a molecular weight of 518.61 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide
• PubChem CID: 59762441
• Molecular Formula: C30H32F2N4O2
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.25
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide
• SMILES: CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CN3CCCC3)n(Cc3ccccn3)c2c1
• InChI: InChI=1S/C30H32F2N4O2/c1-20(2)38-23-9-10-24-27(16-23)36(18-22-7-3-4-12-33-22)28(19-35-13-5-6-14-35)29(24)30(37)34-17-21-8-11-25(31)26(32)15-21/h3-4,7-12,15-16,20H,5-6,13-14,17-19H2,1-2H3,(H,34,37)
• InChIKey: RGNMOECLMIXFNJ-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide?

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide (CID 59762441) is N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide.

What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide?

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide is CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CN3CCCC3)n(Cc3ccccn3)c2c1.

What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide?

The InChIKey is RGNMOECLMIXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4O2/c1-20(2)38-23-9-10-24-27(16-23)36(18-22-7-3-4-12-33-22)28(19-35-13-5-6-14-35)29(24)30(37)34-17-21-8-11-25(31)26(32)15-21/h3-4,7-12,15-16,20H,5-6,13-14,17-19H2,1-2H3,(H,34,37).

What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide?

N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide has a molecular weight of 518.61 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 59762441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).