ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate

C27H34FN3O3 — CID 118570114

IUPACethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CC(=O)N2CCc3c(C4CC4)nn(Cc4ccc(F)cc4)c3C2)CC1
InChIInChI=1S/C27H34FN3O3/c1-2-34-27(33)21-7-3-18(4-8-21)15-25(32)30-14-13-23-24(17-30)31(29-26(23)20-9-10-20)16-19-5-11-22(28)12-6-19/h5-6,11-12,18,20-21H,2-4,7-10,13-17H2,1H3
InChIKeyOLQWGUGWUGYMMH-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.59
Rot. Bonds7

About ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate

ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate (PubChem CID 118570114) has the molecular formula C27H34FN3O3 and a molecular weight of 467.59 g/mol. Its IUPAC name is ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate
PubChem CID118570114
Molecular FormulaC27H34FN3O3
Molecular Weight467.59 g/mol
Exact Mass467.26
IUPAC Nameethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CC(=O)N2CCc3c(C4CC4)nn(Cc4ccc(F)cc4)c3C2)CC1
InChIInChI=1S/C27H34FN3O3/c1-2-34-27(33)21-7-3-18(4-8-21)15-25(32)30-14-13-23-24(17-30)31(29-26(23)20-9-10-20)16-19-5-11-22(28)12-6-19/h5-6,11-12,18,20-21H,2-4,7-10,13-17H2,1H3
InChIKeyOLQWGUGWUGYMMH-UHFFFAOYSA-N
XLogP4.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate (CID 118570114) is ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CC(=O)N2CCc3c(C4CC4)nn(Cc4ccc(F)cc4)c3C2)CC1.
What is the InChIKey of ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate?
The InChIKey is OLQWGUGWUGYMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O3/c1-2-34-27(33)21-7-3-18(4-8-21)15-25(32)30-14-13-23-24(17-30)31(29-26(23)20-9-10-20)16-19-5-11-22(28)12-6-19/h5-6,11-12,18,20-21H,2-4,7-10,13-17H2,1H3.
What are the key properties of ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate?
ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate has a molecular weight of 467.59 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[3-cyclopropyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 118570114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).