N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide

C26H25FN4O3 — CID 20961608

IUPACN-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCc2c(C)c3c(C)nn(-c4cccc(F)c4)c3n(C)c2=O)cc1
InChIInChI=1S/C26H25FN4O3/c1-15-22(12-13-23(33)28-20-10-8-18(9-11-20)17(3)32)26(34)30(4)25-24(15)16(2)29-31(25)21-7-5-6-19(27)14-21/h5-11,14H,12-13H2,1-4H3,(H,28,33)
InChIKeyCMZHSBWYIJZXCU-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.25
Rot. Bonds6

About N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide

N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 20961608) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID20961608
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC NameN-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCc2c(C)c3c(C)nn(-c4cccc(F)c4)c3n(C)c2=O)cc1
InChIInChI=1S/C26H25FN4O3/c1-15-22(12-13-23(33)28-20-10-8-18(9-11-20)17(3)32)26(34)30(4)25-24(15)16(2)29-31(25)21-7-5-6-19(27)14-21/h5-11,14H,12-13H2,1-4H3,(H,28,33)
InChIKeyCMZHSBWYIJZXCU-UHFFFAOYSA-N
XLogP4.25
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanoic acid
CID 20854873
N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961396
N-[(2-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961620
N-[(4-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961623
3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20961625
N-(3,4,5-trimethoxyphenyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961514
methyl 4-[3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanoylamino]benzoate
CID 50796355
N-(2,4-dimethoxyphenyl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961379
N-(3,4-difluorophenyl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961278
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(3-methylphenyl)propanamide
CID 50796339
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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide (CID 20961608) is N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide is CC(=O)c1ccc(NC(=O)CCc2c(C)c3c(C)nn(-c4cccc(F)c4)c3n(C)c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is CMZHSBWYIJZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-15-22(12-13-23(33)28-20-10-8-18(9-11-20)17(3)32)26(34)30(4)25-24(15)16(2)29-31(25)21-7-5-6-19(27)14-21/h5-11,14H,12-13H2,1-4H3,(H,28,33).
What are the key properties of N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 460.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 20961608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).