[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate

C28H29Cl2N5O3 — CID 66881756

IUPAC[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate
SMILESCOc1ccc(/C=C2\CNCc3c(OC(=O)NN4CC5CCCC5C4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C28H29Cl2N5O3/c1-37-22-8-5-17(6-9-22)11-20-13-31-14-23-26(20)35(25-10-7-21(29)12-24(25)30)32-27(23)38-28(36)33-34-15-18-3-2-4-19(18)16-34/h5-12,18-19,31H,2-4,13-16H2,1H3,(H,33,36)/b20-11+
InChIKeyIZXBFPNWWQVKJP-RGVLZGJSSA-N
MW554.48 g/mol
LogP5.57
Rot. Bonds5

About [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate

[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate (PubChem CID 66881756) has the molecular formula C28H29Cl2N5O3 and a molecular weight of 554.48 g/mol. Its IUPAC name is [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate.

Molecular Properties

Compound Name[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate
PubChem CID66881756
Molecular FormulaC28H29Cl2N5O3
Molecular Weight554.48 g/mol
Exact Mass553.16
IUPAC Name[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate
SMILESCOc1ccc(/C=C2\CNCc3c(OC(=O)NN4CC5CCCC5C4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C28H29Cl2N5O3/c1-37-22-8-5-17(6-9-22)11-20-13-31-14-23-26(20)35(25-10-7-21(29)12-24(25)30)32-27(23)38-28(36)33-34-15-18-3-2-4-19(18)16-34/h5-12,18-19,31H,2-4,13-16H2,1H3,(H,33,36)/b20-11+
InChIKeyIZXBFPNWWQVKJP-RGVLZGJSSA-N
XLogP5.57
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.48
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate 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 [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate?
The IUPAC name of [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate (CID 66881756) is [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate.
What is the SMILES notation for [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate?
The canonical SMILES for [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate is COc1ccc(/C=C2\CNCc3c(OC(=O)NN4CC5CCCC5C4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.
What is the InChIKey of [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate?
The InChIKey is IZXBFPNWWQVKJP-RGVLZGJSSA-N. The full InChI is InChI=1S/C28H29Cl2N5O3/c1-37-22-8-5-17(6-9-22)11-20-13-31-14-23-26(20)35(25-10-7-21(29)12-24(25)30)32-27(23)38-28(36)33-34-15-18-3-2-4-19(18)16-34/h5-12,18-19,31H,2-4,13-16H2,1H3,(H,33,36)/b20-11+.
What are the key properties of [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate?
[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate has a molecular weight of 554.48 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate is sourced from PubChem (CID 66881756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).