[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

C23H23ClN4O3 — CID 118621871

IUPAC[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCn1ncc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3Cl)cc21
InChIInChI=1S/C23H23ClN4O3/c1-26-20-13-15(2-3-17(20)14-25-26)18-5-4-16(12-19(18)24)21(29)27-8-10-28(11-9-27)22(30)23(31)6-7-23/h2-5,12-14,31H,6-11H2,1H3
InChIKeyZECLMWWCLUXCPP-UHFFFAOYSA-N
MW438.92 g/mol
LogP2.70
Rot. Bonds3

About [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 118621871) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID118621871
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCn1ncc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3Cl)cc21
InChIInChI=1S/C23H23ClN4O3/c1-26-20-13-15(2-3-17(20)14-25-26)18-5-4-16(12-19(18)24)21(29)27-8-10-28(11-9-27)22(30)23(31)6-7-23/h2-5,12-14,31H,6-11H2,1H3
InChIKeyZECLMWWCLUXCPP-UHFFFAOYSA-N
XLogP2.70
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
(3-chloro-4-naphthalen-2-ylphenyl)-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 134273918
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
[3-chloro-4-[1-(trifluoromethyl)indol-5-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621523
[4-[1-(cyclobutylmethyl)indazol-6-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621502
[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 155267798
[3-chloro-4-(1-methyl-4H-inden-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 163992153
[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621876
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621425
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
CID 118621625
[4-(3-aminoisoquinolin-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621612

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (CID 118621871) is [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is Cn1ncc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3Cl)cc21.
What is the InChIKey of [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is ZECLMWWCLUXCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-26-20-13-15(2-3-17(20)14-25-26)18-5-4-16(12-19(18)24)21(29)27-8-10-28(11-9-27)22(30)23(31)6-7-23/h2-5,12-14,31H,6-11H2,1H3.
What are the key properties of [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 438.92 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118621871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).