(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide

C31H28Cl2FN5O — CID 134136907

IUPAC(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C31H28Cl2FN5O/c32-22-9-12-27(26(33)19-22)39-30-21(18-20-7-10-23(34)11-8-20)4-3-5-25(30)29(37-39)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+
InChIKeyIIOXTISPTRJWDM-DYTRJAOYSA-N
MW576.50 g/mol
LogP6.99
Rot. Bonds5

About (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide

(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide (PubChem CID 134136907) has the molecular formula C31H28Cl2FN5O and a molecular weight of 576.50 g/mol. Its IUPAC name is (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

Compound Name(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide
PubChem CID134136907
Molecular FormulaC31H28Cl2FN5O
Molecular Weight576.50 g/mol
Exact Mass575.17
IUPAC Name(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C31H28Cl2FN5O/c32-22-9-12-27(26(33)19-22)39-30-21(18-20-7-10-23(34)11-8-20)4-3-5-25(30)29(37-39)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+
InChIKeyIIOXTISPTRJWDM-DYTRJAOYSA-N
XLogP6.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.50
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(4-hydroxypiperidin-1-yl)-5,6-dihydro-4H-indazole-3-carboxamide
CID 73232848
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-indazole-3-carboxylic acid
CID 59836254
(9E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-4H-cycloocta[d]pyrazole-3-carboxamide
CID 16660680
(8E)-N-[(1S)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 158238143
1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,5-dioxo-N-piperidin-1-yl-4H-thiopyrano[3,4-d]pyrazole-3-carboxamide
CID 73126568
1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[4,5-d]azepine-3-carboxamide
CID 67391152
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,5-dioxo-4H-thiopyrano[3,4-d]pyrazole-3-carboxamide
CID 76574188
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
CID 59836455
ethyl (8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxylate
CID 58882521
8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 90894699
(7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 58916342
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide
CID 11613896

Frequently Asked Questions

What is the IUPAC name of (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide?
The IUPAC name of (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide (CID 134136907) is (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide.
What is the SMILES notation for (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide?
The canonical SMILES for (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide is O=C(NC1CCN(c2ccccn2)CC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(F)cc1.
What is the InChIKey of (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide?
The InChIKey is IIOXTISPTRJWDM-DYTRJAOYSA-N. The full InChI is InChI=1S/C31H28Cl2FN5O/c32-22-9-12-27(26(33)19-22)39-30-21(18-20-7-10-23(34)11-8-20)4-3-5-25(30)29(37-39)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+.
What are the key properties of (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide?
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide has a molecular weight of 576.50 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 134136907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).