N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

C25H23F2N5O — CID 57431491

About N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (PubChem CID 57431491) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
• PubChem CID: 57431491
• Molecular Formula: C25H23F2N5O
• Molecular Weight: 447.49 g/mol
• Exact Mass: 447.19
• IUPAC Name: N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
• SMILES: N[C@@H]1CCN(c2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cn2)C1
• InChI: InChI=1S/C25H23F2N5O/c26-18-3-1-2-16(10-18)14-32-22-6-4-19(27)11-17(22)12-23(32)25(33)30-21-5-7-24(29-13-21)31-9-8-20(28)15-31/h1-7,10-13,20H,8-9,14-15,28H2,(H,30,33)/t20-/m1/s1
• InChIKey: HDLUUBSRJPBPEK-HXUWFJFHSA-N
• XLogP: 4.15
• TPSA: 76.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.49
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?

The IUPAC name of N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (CID 57431491) is N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.

What is the SMILES notation for N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?

The canonical SMILES for N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is N[C@@H]1CCN(c2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cn2)C1.

What is the InChIKey of N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?

The InChIKey is HDLUUBSRJPBPEK-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H23F2N5O/c26-18-3-1-2-16(10-18)14-32-22-6-4-19(27)11-17(22)12-23(32)25(33)30-21-5-7-24(29-13-21)31-9-8-20(28)15-31/h1-7,10-13,20H,8-9,14-15,28H2,(H,30,33)/t20-/m1/s1.

What are the key properties of N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?

N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 57431491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).