(Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine

C26H32FN7 — CID 166873107

IUPAC(Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine
SMILES[H]/N=C(/C=C\C1=NCC(c2cccc(N3CCNCC3)n2)N1)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C26H32FN7/c27-20-5-1-4-19(16-20)17-21-6-3-13-34(21)24(28)9-10-25-30-18-23(31-25)22-7-2-8-26(32-22)33-14-11-29-12-15-33/h1-2,4-5,7-10,16,21,23,28-29H,3,6,11-15,17-18H2,(H,30,31)/b10-9-,28-24-
InChIKeyCNWFDDZPVYEGIA-KEVCWUKPSA-N
MW461.59 g/mol
LogP2.91
Rot. Bonds6

About (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine

(Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine (PubChem CID 166873107) has the molecular formula C26H32FN7 and a molecular weight of 461.59 g/mol. Its IUPAC name is (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine
PubChem CID166873107
Molecular FormulaC26H32FN7
Molecular Weight461.59 g/mol
Exact Mass461.27
IUPAC Name(Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine
SMILES[H]/N=C(/C=C\C1=NCC(c2cccc(N3CCNCC3)n2)N1)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C26H32FN7/c27-20-5-1-4-19(16-20)17-21-6-3-13-34(21)24(28)9-10-25-30-18-23(31-25)22-7-2-8-26(32-22)33-14-11-29-12-15-33/h1-2,4-5,7-10,16,21,23,28-29H,3,6,11-15,17-18H2,(H,30,31)/b10-9-,28-24-
InChIKeyCNWFDDZPVYEGIA-KEVCWUKPSA-N
XLogP2.91
TPSA79.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine with MolForge

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Related Compounds

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
(Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine
CID 166873177
3-[4-[6-[2-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]propanenitrile
CID 137048311
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[5-(6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-yl]prop-2-en-1-imine
CID 137130101
3-[5-[6-[4-(azetidin-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazol-1-ium-2-yl]-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]prop-2-en-1-imine
CID 163530100
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
(Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine
CID 146410910
2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
CID 133482186
N-ethyl-1-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-amine;methanethiol
CID 143894746
(Z)-3-[5-[6-[(2S)-2-ethylmorpholin-4-yl]-2-pyridinyl]-1H-imidazol-2-yl]-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]prop-2-en-1-imine
CID 143894931
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120624041

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine?
The IUPAC name of (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine (CID 166873107) is (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine.
What is the SMILES notation for (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine?
The canonical SMILES for (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine is [H]/N=C(/C=C\C1=NCC(c2cccc(N3CCNCC3)n2)N1)N1CCCC1Cc1cccc(F)c1.
What is the InChIKey of (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine?
The InChIKey is CNWFDDZPVYEGIA-KEVCWUKPSA-N. The full InChI is InChI=1S/C26H32FN7/c27-20-5-1-4-19(16-20)17-21-6-3-13-34(21)24(28)9-10-25-30-18-23(31-25)22-7-2-8-26(32-22)33-14-11-29-12-15-33/h1-2,4-5,7-10,16,21,23,28-29H,3,6,11-15,17-18H2,(H,30,31)/b10-9-,28-24-.
What are the key properties of (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine?
(Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine has a molecular weight of 461.59 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-[5-(6-piperazin-1-yl-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 166873107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).