N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide

C25H21F2N5O — CID 66908003

About N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide

N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 66908003) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 66908003
• Molecular Formula: C25H21F2N5O
• Molecular Weight: 445.47 g/mol
• Exact Mass: 445.17
• IUPAC Name: N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc(N2CC3CC3C2)nc1)c1cc2cc(F)cnc2n1Cc1cccc(F)c1
• InChI: InChI=1S/C25H21F2N5O/c26-19-3-1-2-15(6-19)12-32-22(9-16-8-20(27)10-29-24(16)32)25(33)30-21-4-5-23(28-11-21)31-13-17-7-18(17)14-31/h1-6,8-11,17-18H,7,12-14H2,(H,30,33)
• InChIKey: ZNMPKTZWRMVGSQ-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.47
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (CID 66908003) is N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(N2CC3CC3C2)nc1)c1cc2cc(F)cnc2n1Cc1cccc(F)c1.

What is the InChIKey of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is ZNMPKTZWRMVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c26-19-3-1-2-15(6-19)12-32-22(9-16-8-20(27)10-29-24(16)32)25(33)30-21-4-5-23(28-11-21)31-13-17-7-18(17)14-31/h1-6,8-11,17-18H,7,12-14H2,(H,30,33).

What are the key properties of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66908003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).