N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C22H28N4O3 — CID 46261829

IUPACN-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOC(CNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C)OC
InChIInChI=1S/C22H28N4O3/c1-14-18(11-12-19(27)23-13-20(28-4)29-5)15(2)24-22-21(14)16(3)25-26(22)17-9-7-6-8-10-17/h6-10,20H,11-13H2,1-5H3,(H,23,27)
InChIKeyMVEYHNFLDAMVSU-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.01
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 46261829) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID46261829
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOC(CNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C)OC
InChIInChI=1S/C22H28N4O3/c1-14-18(11-12-19(27)23-13-20(28-4)29-5)15(2)24-22-21(14)16(3)25-26(22)17-9-7-6-8-10-17/h6-10,20H,11-13H2,1-5H3,(H,23,27)
InChIKeyMVEYHNFLDAMVSU-UHFFFAOYSA-N
XLogP3.01
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
N-(3-methylbutyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603505
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20863654
1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 23602926
methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate
CID 23603527
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 50796311
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796295
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(3-methoxyphenyl)propanamide
CID 50796406
N-[2-(1H-indol-3-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796302

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 46261829) is N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is COC(CNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is MVEYHNFLDAMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-18(11-12-19(27)23-13-20(28-4)29-5)15(2)24-22-21(14)16(3)25-26(22)17-9-7-6-8-10-17/h6-10,20H,11-13H2,1-5H3,(H,23,27).
What are the key properties of N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 46261829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).