ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate

C19H17ClN4O2 — CID 155979895

IUPACethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\C1=C(Cl)c2c(C)nn(-c3ccccn3)c2CC1
InChIInChI=1S/C19H17ClN4O2/c1-3-26-19(25)14(11-21)10-13-7-8-15-17(18(13)20)12(2)23-24(15)16-6-4-5-9-22-16/h4-6,9-10H,3,7-8H2,1-2H3/b14-10-
InChIKeyKATBYPRQOAMDBJ-UVTDQMKNSA-N
MW368.82 g/mol
LogP3.48
Rot. Bonds4

About ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate

ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate (PubChem CID 155979895) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate
PubChem CID155979895
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Nameethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\C1=C(Cl)c2c(C)nn(-c3ccccn3)c2CC1
InChIInChI=1S/C19H17ClN4O2/c1-3-26-19(25)14(11-21)10-13-7-8-15-17(18(13)20)12(2)23-24(15)16-6-4-5-9-22-16/h4-6,9-10H,3,7-8H2,1-2H3/b14-10-
InChIKeyKATBYPRQOAMDBJ-UVTDQMKNSA-N
XLogP3.48
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate 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

4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile
CID 15358374
ethyl (E)-2-cyano-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 167037200
ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate
CID 177466132
ethyl 2-cyano-3-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)prop-2-enoate
CID 3585965
ethyl 2-cyano-3-(3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 2815116
ethyl (Z)-2-cyano-3-[2-[2-[2-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenoxy]ethoxy]phenyl]prop-2-enoate
CID 10623831
ethyl (Z)-2-cyano-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]prop-2-enoate
CID 5400987
ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate
CID 13194075
ethyl (E)-2-cyano-3-[2-[3-[2-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-enoate
CID 101074217
ethyl (E)-2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate
CID 6243078
ethyl (Z)-3-(4-aminophenyl)-2-cyanoprop-2-enoate
CID 2307363
ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 82593396

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate (CID 155979895) is ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate is CCOC(=O)/C(C#N)=C\C1=C(Cl)c2c(C)nn(-c3ccccn3)c2CC1.
What is the InChIKey of ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate?
The InChIKey is KATBYPRQOAMDBJ-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-3-26-19(25)14(11-21)10-13-7-8-15-17(18(13)20)12(2)23-24(15)16-6-4-5-9-22-16/h4-6,9-10H,3,7-8H2,1-2H3/b14-10-.
What are the key properties of ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate?
ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate has a molecular weight of 368.82 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate is sourced from PubChem (CID 155979895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).