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

C29H30F2N4O — CID 59762314

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

N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide (PubChem CID 59762314) has the molecular formula C29H30F2N4O and a molecular weight of 488.58 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide
• PubChem CID: 59762314
• Molecular Formula: C29H30F2N4O
• Molecular Weight: 488.58 g/mol
• Exact Mass: 488.24
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide
• SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCCC3)cc2n1Cc1ccccn1
• InChI: InChI=1S/C29H30F2N4O/c1-19(2)28-27(29(36)33-17-20-8-11-24(30)25(31)15-20)23-10-9-22(34-13-5-6-14-34)16-26(23)35(28)18-21-7-3-4-12-32-21/h3-4,7-12,15-16,19H,5-6,13-14,17-18H2,1-2H3,(H,33,36)
• InChIKey: JMTXDBBFAUQTNN-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.58
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide (CID 59762314) is N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide.

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

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCCC3)cc2n1Cc1ccccn1.

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

The InChIKey is JMTXDBBFAUQTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N4O/c1-19(2)28-27(29(36)33-17-20-8-11-24(30)25(31)15-20)23-10-9-22(34-13-5-6-14-34)16-26(23)35(28)18-21-7-3-4-12-32-21/h3-4,7-12,15-16,19H,5-6,13-14,17-18H2,1-2H3,(H,33,36).

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

N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide has a molecular weight of 488.58 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylindole-3-carboxamide is sourced from PubChem (CID 59762314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).