[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone

C23H26N4O3 — CID 139452191

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone
SMILESCC1NNc2cccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3)c21
InChIInChI=1S/C23H26N4O3/c1-15-20-18(3-2-4-19(20)25-24-15)16-5-7-17(8-6-16)21(28)26-11-13-27(14-12-26)22(29)23(30)9-10-23/h2-8,15,24-25,30H,9-14H2,1H3
InChIKeyXCXRBFGRWSUZNC-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.15
Rot. Bonds3

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone (PubChem CID 139452191) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone
PubChem CID139452191
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone
SMILESCC1NNc2cccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3)c21
InChIInChI=1S/C23H26N4O3/c1-15-20-18(3-2-4-19(20)25-24-15)16-5-7-17(8-6-16)21(28)26-11-13-27(14-12-26)22(29)23(30)9-10-23/h2-8,15,24-25,30H,9-14H2,1H3
InChIKeyXCXRBFGRWSUZNC-UHFFFAOYSA-N
XLogP2.15
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-3H-inden-4-yl)phenyl]methanone
CID 146199137
[4-(2-fluoro-3-hydroxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 139377478
[4-(2-fluoro-3-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 86272213
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1H-indol-4-yl)phenyl]methanone
CID 118621539
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621876
[4-[2-fluoro-3-(trifluoromethoxy)phenyl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 86274127
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-hydroxy-1-methyl-2,3-dihydroindazol-6-yl)phenyl]methanone
CID 118639650
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methyl-2,3-dihydrobenzotriazol-4-yl)phenyl]methanone
CID 163882772
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 86275091
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone (CID 139452191) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone is CC1NNc2cccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3)c21.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone?
The InChIKey is XCXRBFGRWSUZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-20-18(3-2-4-19(20)25-24-15)16-5-7-17(8-6-16)21(28)26-11-13-27(14-12-26)22(29)23(30)9-10-23/h2-8,15,24-25,30H,9-14H2,1H3.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone has a molecular weight of 406.49 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone is sourced from PubChem (CID 139452191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).