methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate

C25H30N4O4 — CID 55755035

IUPACmethyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1OC
InChIInChI=1S/C25H30N4O4/c1-14-21-18(12-19(16-8-9-16)27-22(21)29(28-14)25(2,3)4)23(30)26-13-15-7-10-20(32-5)17(11-15)24(31)33-6/h7,10-12,16H,8-9,13H2,1-6H3,(H,26,30)
InChIKeyJEPZEVPADIGMQU-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.10
Rot. Bonds6

About methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate

methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate (PubChem CID 55755035) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
PubChem CID55755035
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Namemethyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1OC
InChIInChI=1S/C25H30N4O4/c1-14-21-18(12-19(16-8-9-16)27-22(21)29(28-14)25(2,3)4)23(30)26-13-15-7-10-20(32-5)17(11-15)24(31)33-6/h7,10-12,16H,8-9,13H2,1-6H3,(H,26,30)
InChIKeyJEPZEVPADIGMQU-UHFFFAOYSA-N
XLogP4.10
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate (CID 55755035) is methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1OC.
What is the InChIKey of methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate?
The InChIKey is JEPZEVPADIGMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-14-21-18(12-19(16-8-9-16)27-22(21)29(28-14)25(2,3)4)23(30)26-13-15-7-10-20(32-5)17(11-15)24(31)33-6/h7,10-12,16H,8-9,13H2,1-6H3,(H,26,30).
What are the key properties of methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate?
methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate has a molecular weight of 450.54 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 55755035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).