[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone

C24H26N4O3 — CID 118621456

IUPAC[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
SMILESCn1ncc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4)cc3)cc21
InChIInChI=1S/C24H26N4O3/c1-26-21-15-19(7-8-20(21)16-25-26)17-3-5-18(6-4-17)22(29)27-11-13-28(14-12-27)23(30)24(31)9-2-10-24/h3-8,15-16,31H,2,9-14H2,1H3
InChIKeyDTZHLAVOJSTFCU-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.44
Rot. Bonds3

About [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone

[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone (PubChem CID 118621456) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
PubChem CID118621456
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
SMILESCn1ncc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4)cc3)cc21
InChIInChI=1S/C24H26N4O3/c1-26-21-15-19(7-8-20(21)16-25-26)17-3-5-18(6-4-17)22(29)27-11-13-28(14-12-27)23(30)24(31)9-2-10-24/h3-8,15-16,31H,2,9-14H2,1H3
InChIKeyDTZHLAVOJSTFCU-UHFFFAOYSA-N
XLogP2.44
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621871
[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
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone
CID 139377111
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621425
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
[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
[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone
CID 158682998
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone?
The IUPAC name of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone (CID 118621456) is [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone?
The canonical SMILES for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone is Cn1ncc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4)cc3)cc21.
What is the InChIKey of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone?
The InChIKey is DTZHLAVOJSTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-26-21-15-19(7-8-20(21)16-25-26)17-3-5-18(6-4-17)22(29)27-11-13-28(14-12-27)23(30)24(31)9-2-10-24/h3-8,15-16,31H,2,9-14H2,1H3.
What are the key properties of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone?
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone has a molecular weight of 418.50 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone is sourced from PubChem (CID 118621456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).