N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C24H20ClFN4O3 — CID 56663141

IUPACN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccncc3)C1C2
InChIInChI=1S/C24H20ClFN4O3/c1-32-20-10-14-9-17-22(16(14)12-21(20)33-2)29-30(23(17)13-5-7-27-8-6-13)24(31)28-15-3-4-19(26)18(25)11-15/h3-8,10-12,17,23H,9H2,1-2H3,(H,28,31)
InChIKeyXFDYHHUKHVFVQI-UHFFFAOYSA-N
MW466.90 g/mol
LogP5.06
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56663141) has the molecular formula C24H20ClFN4O3 and a molecular weight of 466.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56663141
Molecular FormulaC24H20ClFN4O3
Molecular Weight466.90 g/mol
Exact Mass466.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccncc3)C1C2
InChIInChI=1S/C24H20ClFN4O3/c1-32-20-10-14-9-17-22(16(14)12-21(20)33-2)29-30(23(17)13-5-7-27-8-6-13)24(31)28-15-3-4-19(26)18(25)11-15/h3-8,10-12,17,23H,9H2,1-2H3,(H,28,31)
InChIKeyXFDYHHUKHVFVQI-UHFFFAOYSA-N
XLogP5.06
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.90
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56663141) is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccncc3)C1C2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is XFDYHHUKHVFVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3/c1-32-20-10-14-9-17-22(16(14)12-21(20)33-2)29-30(23(17)13-5-7-27-8-6-13)24(31)28-15-3-4-19(26)18(25)11-15/h3-8,10-12,17,23H,9H2,1-2H3,(H,28,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 466.90 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56663141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).