[1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C23H21ClFN3O4 — CID 39347640

IUPAC[1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C23H21ClFN3O4/c1-30-19-10-13-9-16-21(23(29)27-5-7-32-8-6-27)26-28(14-3-4-18(25)17(24)11-14)22(16)15(13)12-20(19)31-2/h3-4,10-12H,5-9H2,1-2H3
InChIKeyKIPMDSLGZOQZEK-UHFFFAOYSA-N
MW457.89 g/mol
LogP3.73
Rot. Bonds4

About [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 39347640) has the molecular formula C23H21ClFN3O4 and a molecular weight of 457.89 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID39347640
Molecular FormulaC23H21ClFN3O4
Molecular Weight457.89 g/mol
Exact Mass457.12
IUPAC Name[1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C23H21ClFN3O4/c1-30-19-10-13-9-16-21(23(29)27-5-7-32-8-6-27)26-28(14-3-4-18(25)17(24)11-14)22(16)15(13)12-20(19)31-2/h3-4,10-12H,5-9H2,1-2H3
InChIKeyKIPMDSLGZOQZEK-UHFFFAOYSA-N
XLogP3.73
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.89
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 39336062
1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39034106
methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45494711
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39335358
1-(4-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39038190
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
1-(2,5-dichlorophenyl)-N-(2-hydroxyethyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39311103
1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39035547
1-(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 39337219
(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 39309736
1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39335122

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 39347640) is [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone is COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccc(F)c(Cl)c1)C2.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KIPMDSLGZOQZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O4/c1-30-19-10-13-9-16-21(23(29)27-5-7-32-8-6-27)26-28(14-3-4-18(25)17(24)11-14)22(16)15(13)12-20(19)31-2/h3-4,10-12H,5-9H2,1-2H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 457.89 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 39347640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).