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

C26H35FN4O3 — CID 118570159

IUPACethyl 4-[2-[3-(dimethylamino)-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(N(C)C)nn(Cc4ccc(F)cc4)c3C2)CC1
InChIInChI=1S/C26H35FN4O3/c1-4-34-26(33)20-9-5-18(6-10-20)15-24(32)30-14-13-22-23(17-30)31(28-25(22)29(2)3)16-19-7-11-21(27)12-8-19/h7-8,11-12,18,20H,4-6,9-10,13-17H2,1-3H3
InChIKeyRIAOPKZKMRNLDA-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.78
Rot. Bonds7

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

ethyl 4-[2-[3-(dimethylamino)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate (PubChem CID 118570159) has the molecular formula C26H35FN4O3 and a molecular weight of 470.59 g/mol. Its IUPAC name is ethyl 4-[2-[3-(dimethylamino)-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-(dimethylamino)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate
PubChem CID118570159
Molecular FormulaC26H35FN4O3
Molecular Weight470.59 g/mol
Exact Mass470.27
IUPAC Nameethyl 4-[2-[3-(dimethylamino)-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(N(C)C)nn(Cc4ccc(F)cc4)c3C2)CC1
InChIInChI=1S/C26H35FN4O3/c1-4-34-26(33)20-9-5-18(6-10-20)15-24(32)30-14-13-22-23(17-30)31(28-25(22)29(2)3)16-19-7-11-21(27)12-8-19/h7-8,11-12,18,20H,4-6,9-10,13-17H2,1-3H3
InChIKeyRIAOPKZKMRNLDA-UHFFFAOYSA-N
XLogP3.78
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[3-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate (CID 118570159) is ethyl 4-[2-[3-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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(N(C)C)nn(Cc4ccc(F)cc4)c3C2)CC1.
What is the InChIKey of ethyl 4-[2-[3-(dimethylamino)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate?
The InChIKey is RIAOPKZKMRNLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O3/c1-4-34-26(33)20-9-5-18(6-10-20)15-24(32)30-14-13-22-23(17-30)31(28-25(22)29(2)3)16-19-7-11-21(27)12-8-19/h7-8,11-12,18,20H,4-6,9-10,13-17H2,1-3H3.
What are the key properties of ethyl 4-[2-[3-(dimethylamino)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate?
ethyl 4-[2-[3-(dimethylamino)-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 470.59 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[3-(dimethylamino)-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 118570159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).