(E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine

C24H31N7 — CID 159213950

IUPAC(E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine
SMILESCc1[nH]ncc1C(/C=C/C1CCCCC1)=N/c1cc2cn[nH]c2cc1N1CCNCC1
InChIInChI=1S/C24H31N7/c1-17-20(16-27-29-17)21(8-7-18-5-3-2-4-6-18)28-23-13-19-15-26-30-22(19)14-24(23)31-11-9-25-10-12-31/h7-8,13-16,18,25H,2-6,9-12H2,1H3,(H,26,30)(H,27,29)/b8-7+,28-21+
InChIKeyHTZYVSXJFXCBSO-DBNLXQKQSA-N
MW417.56 g/mol
LogP4.26
Rot. Bonds5

About (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine

(E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine (PubChem CID 159213950) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine
PubChem CID159213950
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name(E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine
SMILESCc1[nH]ncc1C(/C=C/C1CCCCC1)=N/c1cc2cn[nH]c2cc1N1CCNCC1
InChIInChI=1S/C24H31N7/c1-17-20(16-27-29-17)21(8-7-18-5-3-2-4-6-18)28-23-13-19-15-26-30-22(19)14-24(23)31-11-9-25-10-12-31/h7-8,13-16,18,25H,2-6,9-12H2,1H3,(H,26,30)(H,27,29)/b8-7+,28-21+
InChIKeyHTZYVSXJFXCBSO-DBNLXQKQSA-N
XLogP4.26
TPSA84.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine with MolForge

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Launch Full Analysis

Related Compounds

1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine
CID 176889729
6-(2-methylazepan-1-yl)-1H-indazol-5-amine
CID 107490347
6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine
CID 107490375
2-[1-(5-amino-1H-indazol-6-yl)piperidin-2-yl]ethanol
CID 107488175
4-piperazin-1-yl-1H-indazole;hydrochloride
CID 131699602
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
CID 108912229
2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol
CID 107490774
5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
CID 23018250
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
CID 107490120
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916
5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole
CID 155735081
1-cyclohexyl-N-(5-methyl-1H-indazol-6-yl)azetidine-3-carboxamide
CID 128660734

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine?
The IUPAC name of (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) is (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine.
What is the SMILES notation for (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine?
The canonical SMILES for (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine is Cc1[nH]ncc1C(/C=C/C1CCCCC1)=N/c1cc2cn[nH]c2cc1N1CCNCC1.
What is the InChIKey of (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine?
The InChIKey is HTZYVSXJFXCBSO-DBNLXQKQSA-N. The full InChI is InChI=1S/C24H31N7/c1-17-20(16-27-29-17)21(8-7-18-5-3-2-4-6-18)28-23-13-19-15-26-30-22(19)14-24(23)31-11-9-25-10-12-31/h7-8,13-16,18,25H,2-6,9-12H2,1H3,(H,26,30)(H,27,29)/b8-7+,28-21+.
What are the key properties of (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine?
(E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine has a molecular weight of 417.56 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-1-(5-methyl-1H-pyrazol-4-yl)-N-(6-piperazin-1-yl-1H-indazol-5-yl)prop-2-en-1-imine is sourced from PubChem (CID 159213950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).