azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C24H24Cl2N4O — CID 149056884

IUPACazetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4CCN4)CC3)cc21
InChIInChI=1S/C24H24Cl2N4O/c1-15(20-5-4-19(25)13-21(20)26)30-23-12-17(2-3-18(23)14-28-30)16-7-10-29(11-8-16)24(31)22-6-9-27-22/h2-5,7,12-15,22,27H,6,8-11H2,1H3
InChIKeyQLABVXTZLMOASU-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.93
Rot. Bonds4

About azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone

azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 149056884) has the molecular formula C24H24Cl2N4O and a molecular weight of 455.39 g/mol. Its IUPAC name is azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID149056884
Molecular FormulaC24H24Cl2N4O
Molecular Weight455.39 g/mol
Exact Mass454.13
IUPAC Nameazetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4CCN4)CC3)cc21
InChIInChI=1S/C24H24Cl2N4O/c1-15(20-5-4-19(25)13-21(20)26)30-23-12-17(2-3-18(23)14-28-30)16-7-10-29(11-8-16)24(31)22-6-9-27-22/h2-5,7,12-15,22,27H,6,8-11H2,1H3
InChIKeyQLABVXTZLMOASU-UHFFFAOYSA-N
XLogP4.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
CID 71582550
[4-[3-[(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone
CID 134490866
[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-fluorobenzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
CID 78121024
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-fluorobenzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 71582608
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 71581672
7-amino-1-[4-[1-[1-(2,4-dichlorocyclohexa-1,5-dien-1-yl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one
CID 130444206
[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 138617241
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole
CID 174731393
6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile
CID 123137837
2-[[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]methyl]pyrrolidine-2-carbaldehyde
CID 148937579
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-2-ylmethanone
CID 60715502
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61163331

Frequently Asked Questions

What is the IUPAC name of azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 149056884) is azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone is CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4CCN4)CC3)cc21.
What is the InChIKey of azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is QLABVXTZLMOASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O/c1-15(20-5-4-19(25)13-21(20)26)30-23-12-17(2-3-18(23)14-28-30)16-7-10-29(11-8-16)24(31)22-6-9-27-22/h2-5,7,12-15,22,27H,6,8-11H2,1H3.
What are the key properties of azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 455.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 149056884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).