N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide

C26H25FN8O — CID 145035113

About N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 145035113) has the molecular formula C26H25FN8O and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 145035113
• Molecular Formula: C26H25FN8O
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.21
• IUPAC Name: N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: NC1=CC=Cc2nc(C3=NNCc4cnc(-c5cncc(NC(=O)C6CCCC6)c5)c(F)c43)[nH]c2C1
• InChI: InChI=1S/C26H25FN8O/c27-22-21-16(12-31-35-24(21)25-33-19-7-3-6-17(28)9-20(19)34-25)11-30-23(22)15-8-18(13-29-10-15)32-26(36)14-4-1-2-5-14/h3,6-8,10-11,13-14,31H,1-2,4-5,9,12,28H2,(H,32,36)(H,33,34)
• InChIKey: GWVRKYGBEONHCW-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 133.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide?

The IUPAC name of N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 145035113) is N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide?

The canonical SMILES for N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide is NC1=CC=Cc2nc(C3=NNCc4cnc(-c5cncc(NC(=O)C6CCCC6)c5)c(F)c43)[nH]c2C1.

What is the InChIKey of N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide?

The InChIKey is GWVRKYGBEONHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O/c27-22-21-16(12-31-35-24(21)25-33-19-7-3-6-17(28)9-20(19)34-25)11-30-23(22)15-8-18(13-29-10-15)32-26(36)14-4-1-2-5-14/h3,6-8,10-11,13-14,31H,1-2,4-5,9,12,28H2,(H,32,36)(H,33,34).

What are the key properties of N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide?

N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 484.54 g/mol, XLogP of 3.40, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(5-amino-3,4-dihydrocyclohepta[d]imidazol-2-yl)-8-fluoro-3,4-dihydropyrido[3,4-d]pyridazin-7-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 145035113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).