[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone

C25H29N5O2 — CID 118621575

IUPAC[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
SMILESCc1nn(C)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(N)CCC5)CC4)cc3)cc12
InChIInChI=1S/C25H29N5O2/c1-17-21-16-20(8-9-22(21)28(2)27-17)18-4-6-19(7-5-18)23(31)29-12-14-30(15-13-29)24(32)25(26)10-3-11-25/h4-9,16H,3,10-15,26H2,1-2H3
InChIKeyYYYFHXSEXMJEHM-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.71
Rot. Bonds3

About [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone

[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone (PubChem CID 118621575) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
PubChem CID118621575
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
SMILESCc1nn(C)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(N)CCC5)CC4)cc3)cc12
InChIInChI=1S/C25H29N5O2/c1-17-21-16-20(8-9-22(21)28(2)27-17)18-4-6-19(7-5-18)23(31)29-12-14-30(15-13-29)24(32)25(26)10-3-11-25/h4-9,16H,3,10-15,26H2,1-2H3
InChIKeyYYYFHXSEXMJEHM-UHFFFAOYSA-N
XLogP2.71
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-dimethylindazol-6-yl)phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 159397655
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 119309536
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclononyl-1,3-dimethyl-2H-indazol-5-yl)phenyl]methanone
CID 139379691
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone
CID 118639669
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621425
7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one
CID 155267691
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone
CID 139377111

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone?
The IUPAC name of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone (CID 118621575) is [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone is Cc1nn(C)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(N)CCC5)CC4)cc3)cc12.
What is the InChIKey of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone?
The InChIKey is YYYFHXSEXMJEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-21-16-20(8-9-22(21)28(2)27-17)18-4-6-19(7-5-18)23(31)29-12-14-30(15-13-29)24(32)25(26)10-3-11-25/h4-9,16H,3,10-15,26H2,1-2H3.
What are the key properties of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone?
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone has a molecular weight of 431.54 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone is sourced from PubChem (CID 118621575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).