[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone

C25H26N4O4 — CID 118621625

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3c(cnn3C3COC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C25H26N4O4/c30-23(27-9-11-28(12-10-27)24(31)25(32)7-8-25)18-3-1-17(2-4-18)19-5-6-22-20(13-19)14-26-29(22)21-15-33-16-21/h1-6,13-14,21,32H,7-12,15-16H2
InChIKeyRSYMSSZFJNAWRO-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.08
Rot. Bonds4

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone (PubChem CID 118621625) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
PubChem CID118621625
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3c(cnn3C3COC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C25H26N4O4/c30-23(27-9-11-28(12-10-27)24(31)25(32)7-8-25)18-3-1-17(2-4-18)19-5-6-22-20(13-19)14-26-29(22)21-15-33-16-21/h1-6,13-14,21,32H,7-12,15-16H2
InChIKeyRSYMSSZFJNAWRO-UHFFFAOYSA-N
XLogP2.08
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-[1-(cyclobutylmethyl)indazol-6-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621502
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
[4-(3-aminoisoquinolin-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621612
[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 162090850
[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
[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 155267798
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
CID 118633907
[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-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone (CID 118621625) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone is O=C(c1ccc(-c2ccc3c(cnn3C3COC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone?
The InChIKey is RSYMSSZFJNAWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-23(27-9-11-28(12-10-27)24(31)25(32)7-8-25)18-3-1-17(2-4-18)19-5-6-22-20(13-19)14-26-29(22)21-15-33-16-21/h1-6,13-14,21,32H,7-12,15-16H2.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone has a molecular weight of 446.51 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone is sourced from PubChem (CID 118621625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).