methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C25H29FN4O4 — CID 126741746

IUPACmethyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCC(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C25H29FN4O4/c1-5-34-25(32)29-12-10-16(11-13-29)19-14-20(24(31)33-4)27-23-21(19)22(15(2)3)28-30(23)18-8-6-17(26)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyKVWCFHWEBWDXFI-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.81
Rot. Bonds5

About methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741746) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741746
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Namemethyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCC(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C25H29FN4O4/c1-5-34-25(32)29-12-10-16(11-13-29)19-14-20(24(31)33-4)27-23-21(19)22(15(2)3)28-30(23)18-8-6-17(26)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyKVWCFHWEBWDXFI-UHFFFAOYSA-N
XLogP4.81
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-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 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741746) is methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)N1CCC(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is KVWCFHWEBWDXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-5-34-25(32)29-12-10-16(11-13-29)19-14-20(24(31)33-4)27-23-21(19)22(15(2)3)28-30(23)18-8-6-17(26)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3.
What are the key properties of methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 468.53 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).