N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine

C20H25FN4 — CID 154654945

IUPACN-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine
SMILESC=C/C(CC1CCNCC1)=N\C(=C/C)c1cc2c(C)[nH]nc2cc1F
InChIInChI=1S/C20H25FN4/c1-4-15(10-14-6-8-22-9-7-14)23-19(5-2)17-11-16-13(3)24-25-20(16)12-18(17)21/h4-5,11-12,14,22H,1,6-10H2,2-3H3,(H,24,25)/b19-5-,23-15+
InChIKeyVWISWDRKWGEOBD-ZFEWLKTGSA-N
MW340.45 g/mol
LogP4.39
Rot. Bonds5

About N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine

N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine (PubChem CID 154654945) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine.

Molecular Properties

Compound NameN-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine
PubChem CID154654945
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC NameN-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine
SMILESC=C/C(CC1CCNCC1)=N\C(=C/C)c1cc2c(C)[nH]nc2cc1F
InChIInChI=1S/C20H25FN4/c1-4-15(10-14-6-8-22-9-7-14)23-19(5-2)17-11-16-13(3)24-25-20(16)12-18(17)21/h4-5,11-12,14,22H,1,6-10H2,2-3H3,(H,24,25)/b19-5-,23-15+
InChIKeyVWISWDRKWGEOBD-ZFEWLKTGSA-N
XLogP4.39
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-4-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24959105
3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole
CID 9996081
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
3-(2-((dimethylamino)methyl)cyclopropyl)-1H-indazole-5-carbonitrile
CID 9834659
5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-indazole
CID 10688762
3-(1-propylpiperidin-4-yl)-2H-indazole
CID 71463194
rac-2-Methyl-4-(3-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 51349315
3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
CID 7426764
3-(3-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 44383839
[(6-Fluoro-1H-indazol-3-yl)methyl]amine
CID 49657938
1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
CID 132282552
5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1H-indazole
CID 10758743

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine?
The IUPAC name of N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine (CID 154654945) is N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine.
What is the SMILES notation for N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine?
The canonical SMILES for N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine is C=C/C(CC1CCNCC1)=N\C(=C/C)c1cc2c(C)[nH]nc2cc1F.
What is the InChIKey of N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine?
The InChIKey is VWISWDRKWGEOBD-ZFEWLKTGSA-N. The full InChI is InChI=1S/C20H25FN4/c1-4-15(10-14-6-8-22-9-7-14)23-19(5-2)17-11-16-13(3)24-25-20(16)12-18(17)21/h4-5,11-12,14,22H,1,6-10H2,2-3H3,(H,24,25)/b19-5-,23-15+.
What are the key properties of N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine?
N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine has a molecular weight of 340.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-fluoro-3-methyl-2H-indazol-5-yl)prop-1-enyl]-1-piperidin-4-ylbut-3-en-2-imine is sourced from PubChem (CID 154654945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).