3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide

C25H32N4O2 — CID 23603953

IUPAC3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCC4CCCO4)c(C)nc32)cc1C
InChIInChI=1S/C25H32N4O2/c1-15-8-9-20(13-16(15)2)29-25-24(19(5)28-29)17(3)22(18(4)27-25)10-11-23(30)26-14-21-7-6-12-31-21/h8-9,13,21H,6-7,10-12,14H2,1-5H3,(H,26,30)
InChIKeyKJSJUPQLQZOTDQ-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.19
Rot. Bonds6

About 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 23603953) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID23603953
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCC4CCCO4)c(C)nc32)cc1C
InChIInChI=1S/C25H32N4O2/c1-15-8-9-20(13-16(15)2)29-25-24(19(5)28-29)17(3)22(18(4)27-25)10-11-23(30)26-14-21-7-6-12-31-21/h8-9,13,21H,6-7,10-12,14H2,1-5H3,(H,26,30)
InChIKeyKJSJUPQLQZOTDQ-UHFFFAOYSA-N
XLogP4.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94079737
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94079742
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 50796369
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 23603939
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 20863735
N-(3-methylbutyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603505
3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 46042535
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propan-1-one
CID 23603944
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 18160268
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93328746
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 71689007
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 23603953) is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCC4CCCO4)c(C)nc32)cc1C.
What is the InChIKey of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is KJSJUPQLQZOTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-15-8-9-20(13-16(15)2)29-25-24(19(5)28-29)17(3)22(18(4)27-25)10-11-23(30)26-14-21-7-6-12-31-21/h8-9,13,21H,6-7,10-12,14H2,1-5H3,(H,26,30).
What are the key properties of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 420.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 23603953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).