[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone

C27H30N4O2 — CID 162090850

IUPAC[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5c(cnn5CC5CC5)c4)cc3)CC2)CC1
InChIInChI=1S/C27H30N4O2/c1-27(10-11-27)26(33)30-14-12-29(13-15-30)25(32)21-6-4-20(5-7-21)22-8-9-24-23(16-22)17-28-31(24)18-19-2-3-19/h4-9,16-17,19H,2-3,10-15,18H2,1H3
InChIKeyZDOXHJNGUNKZAX-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.20
Rot. Bonds5

About [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone

[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 162090850) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID162090850
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5c(cnn5CC5CC5)c4)cc3)CC2)CC1
InChIInChI=1S/C27H30N4O2/c1-27(10-11-27)26(33)30-14-12-29(13-15-30)25(32)21-6-4-20(5-7-21)22-8-9-24-23(16-22)17-28-31(24)18-19-2-3-19/h4-9,16-17,19H,2-3,10-15,18H2,1H3
InChIKeyZDOXHJNGUNKZAX-UHFFFAOYSA-N
XLogP4.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone
CID 158682998
[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-5-yl)phenyl]methanone
CID 118621508
2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
CID 161221422
[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 155267798
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
CID 118621625
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-(1,3-dimethylindazol-6-yl)phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 159397655
[4-[3-[2-(cyclopropylmethyl)prop-2-enyl]phenyl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 157352591
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
phenyl-[3-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674511
1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
CID 121497364

Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone (CID 162090850) is [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone is CC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5c(cnn5CC5CC5)c4)cc3)CC2)CC1.
What is the InChIKey of [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is ZDOXHJNGUNKZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-27(10-11-27)26(33)30-14-12-29(13-15-30)25(32)21-6-4-20(5-7-21)22-8-9-24-23(16-22)17-28-31(24)18-19-2-3-19/h4-9,16-17,19H,2-3,10-15,18H2,1H3.
What are the key properties of [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone?
[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 442.56 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 162090850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).