N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C35H33F3N8O2 — CID 171811897

About N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide

N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 171811897) has the molecular formula C35H33F3N8O2 and a molecular weight of 654.70 g/mol. Its IUPAC name is N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 171811897
• Molecular Formula: C35H33F3N8O2
• Molecular Weight: 654.70 g/mol
• Exact Mass: 654.27
• IUPAC Name: N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• SMILES: N/C=N/C=N/CC(O)(CN1CCC(NC(=O)c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn3c2)CC1)c1ccc(F)cc1F
• InChI: InChI=1S/C35H33F3N8O2/c36-26-4-1-24(2-5-26)33-32(23-9-13-40-14-10-23)31-8-3-25(18-46(31)44-33)34(47)43-28-11-15-45(16-12-28)20-35(48,19-41-22-42-21-39)29-7-6-27(37)17-30(29)38/h1-10,13-14,17-18,21-22,28,48H,11-12,15-16,19-20H2,(H,43,47)(H2,39,41,42)
• InChIKey: IKUZWHALAIWVRQ-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 133.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.70
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 171811897) is N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide is N/C=N/C=N/CC(O)(CN1CCC(NC(=O)c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn3c2)CC1)c1ccc(F)cc1F.

What is the InChIKey of N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is IKUZWHALAIWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N8O2/c36-26-4-1-24(2-5-26)33-32(23-9-13-40-14-10-23)31-8-3-25(18-46(31)44-33)34(47)43-28-11-15-45(16-12-28)20-35(48,19-41-22-42-21-39)29-7-6-27(37)17-30(29)38/h1-10,13-14,17-18,21-22,28,48H,11-12,15-16,19-20H2,(H,43,47)(H2,39,41,42).

What are the key properties of N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 654.70 g/mol, XLogP of 4.58, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-[(aminomethylideneamino)methylideneamino]-2-(2,4-difluorophenyl)-2-hydroxypropyl]piperidin-4-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 171811897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).