[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone

C22H31N5O — CID 126892556

IUPAC[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CC(N3CCN(C4CCCCC4)CC3)C2)c2ccccc21
InChIInChI=1S/C22H31N5O/c1-24-20-10-6-5-9-19(20)21(23-24)22(28)27-15-18(16-27)26-13-11-25(12-14-26)17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3
InChIKeyZSTOVEPVBSRCGS-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.35
Rot. Bonds3

About [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone

[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 126892556) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID126892556
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CC(N3CCN(C4CCCCC4)CC3)C2)c2ccccc21
InChIInChI=1S/C22H31N5O/c1-24-20-10-6-5-9-19(20)21(23-24)22(28)27-15-18(16-27)26-13-11-25(12-14-26)17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3
InChIKeyZSTOVEPVBSRCGS-UHFFFAOYSA-N
XLogP2.35
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
CID 46364975
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
1-[1-[1-(1-methylindazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948210
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 103123263

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 126892556) is [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)N2CC(N3CCN(C4CCCCC4)CC3)C2)c2ccccc21.
What is the InChIKey of [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is ZSTOVEPVBSRCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-24-20-10-6-5-9-19(20)21(23-24)22(28)27-15-18(16-27)26-13-11-25(12-14-26)17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3.
What are the key properties of [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone?
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 381.52 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 126892556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).