5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide

C33H31Cl2N5O4 — CID 170972127

IUPAC5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide
SMILESCOc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=C3CC3)N3CCOCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)OC2
InChIInChI=1S/C33H31Cl2N5O4/c1-33(2)17-43-7-6-39(33)29(18-4-5-18)28-31-30(40(38-28)24-11-22(34)10-23(35)12-24)26-13-25(27(42-3)9-21(26)16-44-31)19-8-20(32(36)41)15-37-14-19/h8-15H,4-7,16-17H2,1-3H3,(H2,36,41)
InChIKeyHEDQIZMQFMLCHP-UHFFFAOYSA-N
MW632.55 g/mol
LogP6.52
Rot. Bonds6

About 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide

5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide (PubChem CID 170972127) has the molecular formula C33H31Cl2N5O4 and a molecular weight of 632.55 g/mol. Its IUPAC name is 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide
PubChem CID170972127
Molecular FormulaC33H31Cl2N5O4
Molecular Weight632.55 g/mol
Exact Mass631.18
IUPAC Name5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide
SMILESCOc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=C3CC3)N3CCOCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)OC2
InChIInChI=1S/C33H31Cl2N5O4/c1-33(2)17-43-7-6-39(33)29(18-4-5-18)28-31-30(40(38-28)24-11-22(34)10-23(35)12-24)26-13-25(27(42-3)9-21(26)16-44-31)19-8-20(32(36)41)15-37-14-19/h8-15H,4-7,16-17H2,1-3H3,(H2,36,41)
InChIKeyHEDQIZMQFMLCHP-UHFFFAOYSA-N
XLogP6.52
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.55
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide (CID 170972127) is 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide is COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=C3CC3)N3CCOCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)OC2.
What is the InChIKey of 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide?
The InChIKey is HEDQIZMQFMLCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31Cl2N5O4/c1-33(2)17-43-7-6-39(33)29(18-4-5-18)28-31-30(40(38-28)24-11-22(34)10-23(35)12-24)26-13-25(27(42-3)9-21(26)16-44-31)19-8-20(32(36)41)15-37-14-19/h8-15H,4-7,16-17H2,1-3H3,(H2,36,41).
What are the key properties of 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide?
5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide has a molecular weight of 632.55 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[cyclopropylidene-(3,3-dimethylmorpholin-4-yl)methyl]-1-(3,5-dichlorophenyl)-7-methoxy-5H-isochromeno[4,3-c]pyrazol-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 170972127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).