N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C24H22F2N4O2 — CID 44610499

About N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 44610499) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 44610499
• Molecular Formula: C24H22F2N4O2
• Molecular Weight: 436.46 g/mol
• Exact Mass: 436.17
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)cnc2n1Cc1ccccn1
• InChI: InChI=1S/C24H22F2N4O2/c1-14(2)22-21(24(32)29-11-15-6-7-19(25)20(26)9-15)18-10-17(31)12-28-23(18)30(22)13-16-5-3-4-8-27-16/h3-10,12,14,31H,11,13H2,1-2H3,(H,29,32)
• InChIKey: WYMOEGCGTIAVAB-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.46
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 44610499) is N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)cnc2n1Cc1ccccn1.

What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is WYMOEGCGTIAVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-14(2)22-21(24(32)29-11-15-6-7-19(25)20(26)9-15)18-10-17(31)12-28-23(18)30(22)13-16-5-3-4-8-27-16/h3-10,12,14,31H,11,13H2,1-2H3,(H,29,32).

What are the key properties of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?

N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 44610499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).