1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone

C24H28F4N4O2 — CID 118561347

IUPAC1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone
SMILESO=C(CC1CC(N2CCOCC2)C1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H28F4N4O2/c25-18-3-1-16(2-4-18)14-32-21-15-31(6-5-20(21)23(29-32)24(26,27)28)22(33)13-17-11-19(12-17)30-7-9-34-10-8-30/h1-4,17,19H,5-15H2
InChIKeyAOOWIYHALJZNMC-UHFFFAOYSA-N
MW480.51 g/mol
LogP3.47
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone

1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone (PubChem CID 118561347) has the molecular formula C24H28F4N4O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone
PubChem CID118561347
Molecular FormulaC24H28F4N4O2
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone
SMILESO=C(CC1CC(N2CCOCC2)C1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H28F4N4O2/c25-18-3-1-16(2-4-18)14-32-21-15-31(6-5-20(21)23(29-32)24(26,27)28)22(33)13-17-11-19(12-17)30-7-9-34-10-8-30/h1-4,17,19H,5-15H2
InChIKeyAOOWIYHALJZNMC-UHFFFAOYSA-N
XLogP3.47
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone (CID 118561347) is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone is O=C(CC1CC(N2CCOCC2)C1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone?
The InChIKey is AOOWIYHALJZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O2/c25-18-3-1-16(2-4-18)14-32-21-15-31(6-5-20(21)23(29-32)24(26,27)28)22(33)13-17-11-19(12-17)30-7-9-34-10-8-30/h1-4,17,19H,5-15H2.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone?
1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone has a molecular weight of 480.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(3-morpholin-4-ylcyclobutyl)ethanone is sourced from PubChem (CID 118561347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).