[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone

C24H26N4O3 — CID 155267798

IUPAC[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
SMILESCn1ncc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(CO)CC5)CC4)cc3)ccc21
InChIInChI=1S/C24H26N4O3/c1-26-21-7-6-19(14-20(21)15-25-26)17-2-4-18(5-3-17)22(30)27-10-12-28(13-11-27)23(31)24(16-29)8-9-24/h2-7,14-15,29H,8-13,16H2,1H3
InChIKeyBFPQVEYEKUBPQM-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.30
Rot. Bonds4

About [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone

[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone (PubChem CID 155267798) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
PubChem CID155267798
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
SMILESCn1ncc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(CO)CC5)CC4)cc3)ccc21
InChIInChI=1S/C24H26N4O3/c1-26-21-7-6-19(14-20(21)15-25-26)17-2-4-18(5-3-17)22(30)27-10-12-28(13-11-27)23(31)24(16-29)8-9-24/h2-7,14-15,29H,8-13,16H2,1H3
InChIKeyBFPQVEYEKUBPQM-UHFFFAOYSA-N
XLogP2.30
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
CID 121497364
[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 162090850
[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 126449690
[4-(1-methylindazol-5-yl)phenyl]-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 126449691
[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621871
[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
[4-[1-(cyclobutylmethyl)indazol-6-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621502
[4-(3-aminoisoquinolin-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621612

Frequently Asked Questions

What is the IUPAC name of [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone?
The IUPAC name of [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone (CID 155267798) is [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone is Cn1ncc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(CO)CC5)CC4)cc3)ccc21.
What is the InChIKey of [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone?
The InChIKey is BFPQVEYEKUBPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-26-21-7-6-19(14-20(21)15-25-26)17-2-4-18(5-3-17)22(30)27-10-12-28(13-11-27)23(31)24(16-29)8-9-24/h2-7,14-15,29H,8-13,16H2,1H3.
What are the key properties of [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone?
[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone has a molecular weight of 418.50 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone is sourced from PubChem (CID 155267798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).