(Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine

C23H23FN4 — CID 146410732

IUPAC(Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine
SMILES[H]/N=C(/C=C\C1=CCC=C(c2ccccn2)N1)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C23H23FN4/c24-18-7-3-6-17(16-18)22-11-5-15-28(22)23(25)13-12-19-8-4-10-21(27-19)20-9-1-2-14-26-20/h1-3,6-10,12-14,16,22,25,27H,4-5,11,15H2/b13-12-,25-23-/t22-/m1/s1
InChIKeyWVNNEQVJLZUPCQ-HLWJZIHWSA-N
MW374.46 g/mol
LogP4.81
Rot. Bonds4

About (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine

(Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine (PubChem CID 146410732) has the molecular formula C23H23FN4 and a molecular weight of 374.46 g/mol. Its IUPAC name is (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine
PubChem CID146410732
Molecular FormulaC23H23FN4
Molecular Weight374.46 g/mol
Exact Mass374.19
IUPAC Name(Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine
SMILES[H]/N=C(/C=C\C1=CCC=C(c2ccccn2)N1)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C23H23FN4/c24-18-7-3-6-17(16-18)22-11-5-15-28(22)23(25)13-12-19-8-4-10-21(27-19)20-9-1-2-14-26-20/h1-3,6-10,12-14,16,22,25,27H,4-5,11,15H2/b13-12-,25-23-/t22-/m1/s1
InChIKeyWVNNEQVJLZUPCQ-HLWJZIHWSA-N
XLogP4.81
TPSA52.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
(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
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
(Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[5-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]-1H-imidazol-2-yl]prop-2-en-1-imine
CID 135998230
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
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-(2,6-dioxopiperidin-3-yl)-5-[[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]amino]isoindole-1,3-dione
CID 146410545
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
2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione
CID 146410963
(2S)-3-[[2-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-3,4-dihydropyridin-6-yl]amino]propane-1,2-diol
CID 143894865
2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]ethylamino]isoindole-1,3-dione
CID 146410964
tert-butyl N-[2-[[1-[6-[2-[(Z)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]azetidin-3-yl]amino]ethyl]carbamate
CID 146410339

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine (CID 146410732) is (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine is [H]/N=C(/C=C\C1=CCC=C(c2ccccn2)N1)N1CCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine?
The InChIKey is WVNNEQVJLZUPCQ-HLWJZIHWSA-N. The full InChI is InChI=1S/C23H23FN4/c24-18-7-3-6-17(16-18)22-11-5-15-28(22)23(25)13-12-19-8-4-10-21(27-19)20-9-1-2-14-26-20/h1-3,6-10,12-14,16,22,25,27H,4-5,11,15H2/b13-12-,25-23-/t22-/m1/s1.
What are the key properties of (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine?
(Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine has a molecular weight of 374.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-pyridin-2-yl-1,4-dihydropyridin-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 146410732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).