1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine

C25H24N4 — CID 176889729

IUPAC1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine
SMILESc1ccc(C(=Nc2cc3cn[nH]c3cc2N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C25H24N4/c1-4-10-19(11-5-1)25(20-12-6-2-7-13-20)27-23-16-21-18-26-28-22(21)17-24(23)29-14-8-3-9-15-29/h1-2,4-7,10-13,16-18H,3,8-9,14-15H2,(H,26,28)
InChIKeyHDZBQYRKYVHYQV-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.72
Rot. Bonds4

About 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine

1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine (PubChem CID 176889729) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine
PubChem CID176889729
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine
SMILESc1ccc(C(=Nc2cc3cn[nH]c3cc2N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C25H24N4/c1-4-10-19(11-5-1)25(20-12-6-2-7-13-20)27-23-16-21-18-26-28-22(21)17-24(23)29-14-8-3-9-15-29/h1-2,4-7,10-13,16-18H,3,8-9,14-15H2,(H,26,28)
InChIKeyHDZBQYRKYVHYQV-UHFFFAOYSA-N
XLogP5.72
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine
CID 159213950
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine
CID 171058853
N-(3-piperidin-1-ylphenyl)-1H-indazole-5-carboxamide
CID 166219800
ethane;1-ethylpiperidine;1H-indazole
CID 177186365
5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole
CID 155735081
6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine
CID 107490375
4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one
CID 59028194
3-[4-[1-(1H-indazol-5-yl)-2-(3-pyrrolidin-1-ylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66802322
4-(2-piperidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117358181
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
CID 107490120
6-(2-methylazepan-1-yl)-1H-indazol-5-amine
CID 107490347
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine?
The IUPAC name of 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine (CID 176889729) is 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine.
What is the SMILES notation for 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine?
The canonical SMILES for 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine is c1ccc(C(=Nc2cc3cn[nH]c3cc2N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine?
The InChIKey is HDZBQYRKYVHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-4-10-19(11-5-1)25(20-12-6-2-7-13-20)27-23-16-21-18-26-28-22(21)17-24(23)29-14-8-3-9-15-29/h1-2,4-7,10-13,16-18H,3,8-9,14-15H2,(H,26,28).
What are the key properties of 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine?
1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine has a molecular weight of 380.50 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine is sourced from PubChem (CID 176889729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).