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

C25H32N4O4 — CID 55754659

IUPACmethyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)ccc1OC
InChIInChI=1S/C25H32N4O4/c1-14(2)19-12-18(21-15(3)28-29(22(21)27-19)25(4,5)6)23(30)26-13-16-9-10-20(32-7)17(11-16)24(31)33-8/h9-12,14H,13H2,1-8H3,(H,26,30)
InChIKeyNROUPJYELVWEPD-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.34
Rot. Bonds6

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

methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate (PubChem CID 55754659) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
PubChem CID55754659
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Namemethyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)ccc1OC
InChIInChI=1S/C25H32N4O4/c1-14(2)19-12-18(21-15(3)28-29(22(21)27-19)25(4,5)6)23(30)26-13-16-9-10-20(32-7)17(11-16)24(31)33-8/h9-12,14H,13H2,1-8H3,(H,26,30)
InChIKeyNROUPJYELVWEPD-UHFFFAOYSA-N
XLogP4.34
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate with MolForge

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Related Compounds

1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55760805
methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
CID 55755035
1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801155
N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782933
1-tert-butyl-N-[2-(ethylamino)ethyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119507495
6-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 119352167
(2S)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119359811
(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368591
1-tert-butyl-N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55878029
1-tert-butyl-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
1-tert-butyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55956631
1-tert-butyl-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782732

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate (CID 55754659) is methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)ccc1OC.
What is the InChIKey of methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate?
The InChIKey is NROUPJYELVWEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-14(2)19-12-18(21-15(3)28-29(22(21)27-19)25(4,5)6)23(30)26-13-16-9-10-20(32-7)17(11-16)24(31)33-8/h9-12,14H,13H2,1-8H3,(H,26,30).
What are the key properties of methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate?
methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate has a molecular weight of 452.56 g/mol, XLogP of 4.34, 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-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 55754659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).