N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

C25H25FN4O2 — CID 154633701

About N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (PubChem CID 154633701) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
• PubChem CID: 154633701
• Molecular Formula: C25H25FN4O2
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
• SMILES: CC1CN(C(=O)Cc2cccc(F)c2)CC=C1c1cc(N(C=O)C2CC2)nc2[nH]ccc12
• InChI: InChI=1S/C25H25FN4O2/c1-16-14-29(24(32)12-17-3-2-4-18(26)11-17)10-8-20(16)22-13-23(30(15-31)19-5-6-19)28-25-21(22)7-9-27-25/h2-4,7-9,11,13,15-16,19H,5-6,10,12,14H2,1H3,(H,27,28)
• InChIKey: WYNFHZSSDHAWOJ-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?

The IUPAC name of N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (CID 154633701) is N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.

What is the SMILES notation for N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?

The canonical SMILES for N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is CC1CN(C(=O)Cc2cccc(F)c2)CC=C1c1cc(N(C=O)C2CC2)nc2[nH]ccc12.

What is the InChIKey of N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?

The InChIKey is WYNFHZSSDHAWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-16-14-29(24(32)12-17-3-2-4-18(26)11-17)10-8-20(16)22-13-23(30(15-31)19-5-6-19)28-25-21(22)7-9-27-25/h2-4,7-9,11,13,15-16,19H,5-6,10,12,14H2,1H3,(H,27,28).

What are the key properties of N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?

N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide has a molecular weight of 432.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is sourced from PubChem (CID 154633701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).