N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C26H26N4O4 — CID 50796301

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C26H26N4O4/c1-16-20(10-12-23(31)27-18-9-11-21-22(15-18)34-14-13-33-21)26(32-3)28-25-24(16)17(2)29-30(25)19-7-5-4-6-8-19/h4-9,11,15H,10,12-14H2,1-3H3,(H,27,31)
InChIKeyMIPGWZLUIUOKKJ-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.39
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 50796301) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID50796301
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C26H26N4O4/c1-16-20(10-12-23(31)27-18-9-11-21-22(15-18)34-14-13-33-21)26(32-3)28-25-24(16)17(2)29-30(25)19-7-5-4-6-8-19/h4-9,11,15H,10,12-14H2,1-3H3,(H,27,31)
InChIKeyMIPGWZLUIUOKKJ-UHFFFAOYSA-N
XLogP4.39
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(3-methoxyphenyl)propanamide
CID 50796406
N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796138
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94079742
3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide
CID 50796263
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-(1,3-benzodioxol-5-yl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961270
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
CID 50796208
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide
CID 50796213
N-(4-fluoro-2-methylphenyl)-3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796437

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 50796301) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is MIPGWZLUIUOKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-16-20(10-12-23(31)27-18-9-11-21-22(15-18)34-14-13-33-21)26(32-3)28-25-24(16)17(2)29-30(25)19-7-5-4-6-8-19/h4-9,11,15H,10,12-14H2,1-3H3,(H,27,31).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 458.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 50796301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).