N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

C23H30N4O2 — CID 23603531

IUPACN-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCOCCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C
InChIInChI=1S/C23H30N4O2/c1-15-7-9-19(10-8-15)27-23-22(18(4)26-27)16(2)20(17(3)25-23)11-12-21(28)24-13-6-14-29-5/h7-10H,6,11-14H2,1-5H3,(H,24,28)
InChIKeyUEEJZBARAIGVDF-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.74
Rot. Bonds8

About N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 23603531) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID23603531
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCOCCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C
InChIInChI=1S/C23H30N4O2/c1-15-7-9-19(10-8-15)27-23-22(18(4)26-27)16(2)20(17(3)25-23)11-12-21(28)24-13-6-14-29-5/h7-10H,6,11-14H2,1-5H3,(H,24,28)
InChIKeyUEEJZBARAIGVDF-UHFFFAOYSA-N
XLogP3.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-B]pyridin-5-YL]propanamido}-3-(4-methylphenyl)propanoate
CID 16008550
N-benzyl-2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide
CID 134134890
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide
CID 134149469
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
CID 134152661
2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3231326
8-[3-(5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3241529
Ethyl 3-phenyl-2-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanamido)propanoate
CID 9550069
3-[3-(4-Fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9550745
3-(5,7-Dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)-1-(4-phenyl-1-piperazinyl)-1-propanone
CID 9550750
Ethyl 1-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-A]pyrimidin-6-YL}propanoyl)piperidine-4-carboxylate
CID 9550751
N-(2,2-dimethoxyethyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 9551318
3-{5,7-Dimethyl-2-phenylpyrazolo[1,5-A]pyrimidin-6-YL}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
CID 16008351

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (CID 23603531) is N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is COCCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C.
What is the InChIKey of N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is UEEJZBARAIGVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-15-7-9-19(10-8-15)27-23-22(18(4)26-27)16(2)20(17(3)25-23)11-12-21(28)24-13-6-14-29-5/h7-10H,6,11-14H2,1-5H3,(H,24,28).
What are the key properties of N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 23603531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).