N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine

C26H33FN8 — CID 146410340

About N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine

N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine (PubChem CID 146410340) has the molecular formula C26H33FN8 and a molecular weight of 476.60 g/mol. Its IUPAC name is N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine
• PubChem CID: 146410340
• Molecular Formula: C26H33FN8
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.28
• IUPAC Name: N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine
• SMILES: [H]/N=C(/C=C\C1=NCC(c2cccc(N3CC(NCCN)C3)n2)N1)N1CCCC1c1cccc(F)c1
• InChI: InChI=1S/C26H33FN8/c27-19-5-1-4-18(14-19)23-7-3-13-35(23)24(29)9-10-25-31-15-22(32-25)21-6-2-8-26(33-21)34-16-20(17-34)30-12-11-28/h1-2,4-6,8-10,14,20,22-23,29-30H,3,7,11-13,15-17,28H2,(H,31,32)/b10-9-,29-24-
• InChIKey: MKQJHAYOTNVLTJ-ZLYNOYDOSA-N
• XLogP: 2.37
• TPSA: 105.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	4
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-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine?

The IUPAC name of N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine (CID 146410340) is N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine.

What is the SMILES notation for N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine?

The canonical SMILES for N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine is [H]/N=C(/C=C\C1=NCC(c2cccc(N3CC(NCCN)C3)n2)N1)N1CCCC1c1cccc(F)c1.

What is the InChIKey of N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine?

The InChIKey is MKQJHAYOTNVLTJ-ZLYNOYDOSA-N. The full InChI is InChI=1S/C26H33FN8/c27-19-5-1-4-18(14-19)23-7-3-13-35(23)24(29)9-10-25-31-15-22(32-25)21-6-2-8-26(33-21)34-16-20(17-34)30-12-11-28/h1-2,4-6,8-10,14,20,22-23,29-30H,3,7,11-13,15-17,28H2,(H,31,32)/b10-9-,29-24-.

What are the key properties of N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine?

N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine has a molecular weight of 476.60 g/mol, XLogP of 2.37, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-4,5-dihydro-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 146410340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).