[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone

C24H29N5O2 — CID 118639669

IUPAC[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone
SMILESCC1NN(C)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(N)CC5)CC4)cc3)cc21
InChIInChI=1S/C24H29N5O2/c1-16-20-15-19(7-8-21(20)27(2)26-16)17-3-5-18(6-4-17)22(30)28-11-13-29(14-12-28)23(31)24(25)9-10-24/h3-8,15-16,26H,9-14,25H2,1-2H3
InChIKeyBMMYBRLVYBPIEJ-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.14
Rot. Bonds3

About [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone (PubChem CID 118639669) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone
PubChem CID118639669
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone
SMILESCC1NN(C)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(N)CC5)CC4)cc3)cc21
InChIInChI=1S/C24H29N5O2/c1-16-20-15-19(7-8-21(20)27(2)26-16)17-3-5-18(6-4-17)22(30)28-11-13-29(14-12-28)23(31)24(25)9-10-24/h3-8,15-16,26H,9-14,25H2,1-2H3
InChIKeyBMMYBRLVYBPIEJ-UHFFFAOYSA-N
XLogP2.14
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclononyl-1,3-dimethyl-2H-indazol-5-yl)phenyl]methanone
CID 139379691
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-hydroxy-1-methyl-2,3-dihydroindazol-6-yl)phenyl]methanone
CID 118639650
[(2S)-4-(1-aminocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-[4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639736
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methyl-2,3-dihydrobenzotriazol-4-yl)phenyl]methanone
CID 163882772
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
CID 118621575
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639745
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone
CID 118639566
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 119309536
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639685
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;hydrochloride
CID 119736799

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone?
The IUPAC name of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone (CID 118639669) is [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone is CC1NN(C)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(N)CC5)CC4)cc3)cc21.
What is the InChIKey of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone?
The InChIKey is BMMYBRLVYBPIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-20-15-19(7-8-21(20)27(2)26-16)17-3-5-18(6-4-17)22(30)28-11-13-29(14-12-28)23(31)24(25)9-10-24/h3-8,15-16,26H,9-14,25H2,1-2H3.
What are the key properties of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone?
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone has a molecular weight of 419.53 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone is sourced from PubChem (CID 118639669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).