N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide

C28H25F2N5O — CID 59762428

About N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide (PubChem CID 59762428) has the molecular formula C28H25F2N5O and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide
• PubChem CID: 59762428
• Molecular Formula: C28H25F2N5O
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.20
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide
• SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccn[nH]3)cc2n1Cc1ccccn1
• InChI: InChI=1S/C28H25F2N5O/c1-17(2)27-26(28(36)32-15-18-6-9-22(29)23(30)13-18)21-8-7-19(24-10-12-33-34-24)14-25(21)35(27)16-20-5-3-4-11-31-20/h3-14,17H,15-16H2,1-2H3,(H,32,36)(H,33,34)
• InChIKey: GRSNIHCWRMVPDR-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide?

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide (CID 59762428) is N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide.

What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide?

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccn[nH]3)cc2n1Cc1ccccn1.

What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide?

The InChIKey is GRSNIHCWRMVPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O/c1-17(2)27-26(28(36)32-15-18-6-9-22(29)23(30)13-18)21-8-7-19(24-10-12-33-34-24)14-25(21)35(27)16-20-5-3-4-11-31-20/h3-14,17H,15-16H2,1-2H3,(H,32,36)(H,33,34).

What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide?

N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 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-6-(1H-pyrazol-5-yl)-1-(pyridin-2-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 59762428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).