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

C23H29FN4O3 — CID 130214581

IUPACethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(NCC(=O)N2CCc3c(C)nn(Cc4ccc(F)cc4)c3C2)C1
InChIInChI=1S/C23H29FN4O3/c1-3-31-23(30)17-10-19(11-17)25-12-22(29)27-9-8-20-15(2)26-28(21(20)14-27)13-16-4-6-18(24)7-5-16/h4-7,17,19,25H,3,8-14H2,1-2H3
InChIKeyYAYQHDFQIWTBKV-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.19
Rot. Bonds7

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

ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate (PubChem CID 130214581) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate
PubChem CID130214581
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Nameethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(NCC(=O)N2CCc3c(C)nn(Cc4ccc(F)cc4)c3C2)C1
InChIInChI=1S/C23H29FN4O3/c1-3-31-23(30)17-10-19(11-17)25-12-22(29)27-9-8-20-15(2)26-28(21(20)14-27)13-16-4-6-18(24)7-5-16/h4-7,17,19,25H,3,8-14H2,1-2H3
InChIKeyYAYQHDFQIWTBKV-UHFFFAOYSA-N
XLogP2.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate (CID 130214581) is ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate is CCOC(=O)C1CC(NCC(=O)N2CCc3c(C)nn(Cc4ccc(F)cc4)c3C2)C1.
What is the InChIKey of ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate?
The InChIKey is YAYQHDFQIWTBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-3-31-23(30)17-10-19(11-17)25-12-22(29)27-9-8-20-15(2)26-28(21(20)14-27)13-16-4-6-18(24)7-5-16/h4-7,17,19,25H,3,8-14H2,1-2H3.
What are the key properties of ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate?
ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate has a molecular weight of 428.51 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 130214581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).