methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C25H28FN5O4 — CID 126742121

IUPACmethyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCC3(CC2)CN(C)C(=O)O3)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C25H28FN5O4/c1-15(2)21-20-19(30-11-9-25(10-12-30)14-29(3)24(33)35-25)13-18(23(32)34-4)27-22(20)31(28-21)17-7-5-16(26)6-8-17/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyVSIYMQMZJYFMHX-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.89
Rot. Bonds4

About methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126742121) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126742121
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Namemethyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCC3(CC2)CN(C)C(=O)O3)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C25H28FN5O4/c1-15(2)21-20-19(30-11-9-25(10-12-30)14-29(3)24(33)35-25)13-18(23(32)34-4)27-22(20)31(28-21)17-7-5-16(26)6-8-17/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyVSIYMQMZJYFMHX-UHFFFAOYSA-N
XLogP3.89
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126742121) is methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(N2CCC3(CC2)CN(C)C(=O)O3)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is VSIYMQMZJYFMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-15(2)21-20-19(30-11-9-25(10-12-30)14-29(3)24(33)35-25)13-18(23(32)34-4)27-22(20)31(28-21)17-7-5-16(26)6-8-17/h5-8,13,15H,9-12,14H2,1-4H3.
What are the key properties of methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 481.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126742121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).