[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone

C27H30N4O3 — CID 158682998

IUPAC[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5cnn(CC6COC6)c5c4)cc3)CC2)CC1
InChIInChI=1S/C27H30N4O3/c1-27(8-9-27)26(33)30-12-10-29(11-13-30)25(32)21-4-2-20(3-5-21)22-6-7-23-15-28-31(24(23)14-22)16-19-17-34-18-19/h2-7,14-15,19H,8-13,16-18H2,1H3
InChIKeyIFJMLJRQPCNBOE-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.43
Rot. Bonds5

About [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone

[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone (PubChem CID 158682998) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone
PubChem CID158682998
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5cnn(CC6COC6)c5c4)cc3)CC2)CC1
InChIInChI=1S/C27H30N4O3/c1-27(8-9-27)26(33)30-12-10-29(11-13-30)25(32)21-4-2-20(3-5-21)22-6-7-23-15-28-31(24(23)14-22)16-19-17-34-18-19/h2-7,14-15,19H,8-13,16-18H2,1H3
InChIKeyIFJMLJRQPCNBOE-UHFFFAOYSA-N
XLogP3.43
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone with MolForge

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Related Compounds

[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 162090850
[4-[1-(cyclobutylmethyl)indazol-6-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621502
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
CID 118621625
[4-(1,3-dimethylindazol-6-yl)phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 159397655
2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
CID 161221422
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
(3-methyloxolan-3-yl)-[4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 134477741
[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 155267798
[4-[3-[2-(cyclopropylmethyl)prop-2-enyl]phenyl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 157352591
3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one
CID 142573886

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone?
The IUPAC name of [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone (CID 158682998) is [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone.
What is the SMILES notation for [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone?
The canonical SMILES for [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone is CC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5cnn(CC6COC6)c5c4)cc3)CC2)CC1.
What is the InChIKey of [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone?
The InChIKey is IFJMLJRQPCNBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-27(8-9-27)26(33)30-12-10-29(11-13-30)25(32)21-4-2-20(3-5-21)22-6-7-23-15-28-31(24(23)14-22)16-19-17-34-18-19/h2-7,14-15,19H,8-13,16-18H2,1H3.
What are the key properties of [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone?
[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone has a molecular weight of 458.56 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone is sourced from PubChem (CID 158682998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).