3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide

C23H29ClN4O2 — CID 23604100

IUPAC3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C
InChIInChI=1S/C23H29ClN4O2/c1-13-17(9-11-20(29)26-18-12-16(24)8-10-19(18)30-7)14(2)25-22-21(13)15(3)27-28(22)23(4,5)6/h8,10,12H,9,11H2,1-7H3,(H,26,29)
InChIKeyRUMAGOSANSOSIX-UHFFFAOYSA-N
MW428.96 g/mol
LogP5.34
Rot. Bonds5

About 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide

3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 23604100) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID23604100
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C
InChIInChI=1S/C23H29ClN4O2/c1-13-17(9-11-20(29)26-18-12-16(24)8-10-19(18)30-7)14(2)25-22-21(13)15(3)27-28(22)23(4,5)6/h8,10,12H,9,11H2,1-7H3,(H,26,29)
InChIKeyRUMAGOSANSOSIX-UHFFFAOYSA-N
XLogP5.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate
CID 23604055
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20863666
3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 23604082
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylpropanamide
CID 55433708
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide (CID 23604100) is 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C.
What is the InChIKey of 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is RUMAGOSANSOSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-13-17(9-11-20(29)26-18-12-16(24)8-10-19(18)30-7)14(2)25-22-21(13)15(3)27-28(22)23(4,5)6/h8,10,12H,9,11H2,1-7H3,(H,26,29).
What are the key properties of 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide?
3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 428.96 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 23604100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).