1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile

C24H22F2N4O — CID 156714581

IUPAC1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile
SMILESC=C(CCCn1ncc2cc(C#N)ccc21)C(=O)N1CC(F)CC1c1cccc(F)c1
InChIInChI=1S/C24H22F2N4O/c1-16(4-3-9-30-22-8-7-17(13-27)10-19(22)14-28-30)24(31)29-15-21(26)12-23(29)18-5-2-6-20(25)11-18/h2,5-8,10-11,14,21,23H,1,3-4,9,12,15H2
InChIKeyGSFXFQZTSVFPCP-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.70
Rot. Bonds6

About 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile

1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile (PubChem CID 156714581) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile.

Molecular Properties

Compound Name1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile
PubChem CID156714581
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile
SMILESC=C(CCCn1ncc2cc(C#N)ccc21)C(=O)N1CC(F)CC1c1cccc(F)c1
InChIInChI=1S/C24H22F2N4O/c1-16(4-3-9-30-22-8-7-17(13-27)10-19(22)14-28-30)24(31)29-15-21(26)12-23(29)18-5-2-6-20(25)11-18/h2,5-8,10-11,14,21,23H,1,3-4,9,12,15H2
InChIKeyGSFXFQZTSVFPCP-UHFFFAOYSA-N
XLogP4.70
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylidene-5-oxopentyl]indazole-5-carbonitrile
CID 156714563
4-[2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 129481433
1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-5-(4-fluoroindazol-1-yl)-2-methylidenepentan-1-one
CID 156714625
1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-5-(6-methoxyindazol-1-yl)-2-methylidenepentan-1-one
CID 156714794
1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile
CID 156714914
4-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 129349528
4-[[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129480577
3-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100722421
[3-(benzotriazol-2-ylmethyl)-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylbenzotriazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrazolo[5,4-c]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[(4-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-[(4-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 159328641
4-chloro-3-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 166193513
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 129481779
6-[[3-[3-(4-cyclopropyl-3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyridine-3-carbonitrile;[3-(4-cyclopropyl-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;6-[[3-[3-[3,5-difluoro-4-(hydroxymethyl)phenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyridine-3-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 157496393

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile?
The IUPAC name of 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile (CID 156714581) is 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile.
What is the SMILES notation for 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile?
The canonical SMILES for 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile is C=C(CCCn1ncc2cc(C#N)ccc21)C(=O)N1CC(F)CC1c1cccc(F)c1.
What is the InChIKey of 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile?
The InChIKey is GSFXFQZTSVFPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-16(4-3-9-30-22-8-7-17(13-27)10-19(22)14-28-30)24(31)29-15-21(26)12-23(29)18-5-2-6-20(25)11-18/h2,5-8,10-11,14,21,23H,1,3-4,9,12,15H2.
What are the key properties of 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile?
1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile has a molecular weight of 420.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pent-4-enyl]indazole-5-carbonitrile is sourced from PubChem (CID 156714581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).