N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide

C26H25FN4O4 — CID 20961396

IUPACN-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCCn1c(=O)c(CCC(=O)Nc2ccc3c(c2)OCO3)c(C)c2c(C)nn(-c3cccc(F)c3)c21
InChIInChI=1S/C26H25FN4O4/c1-4-30-25-24(16(3)29-31(25)19-7-5-6-17(27)12-19)15(2)20(26(30)33)9-11-23(32)28-18-8-10-21-22(13-18)35-14-34-21/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,28,32)
InChIKeyHKWBLDZMBSGMFP-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.26
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 20961396) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID20961396
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCCn1c(=O)c(CCC(=O)Nc2ccc3c(c2)OCO3)c(C)c2c(C)nn(-c3cccc(F)c3)c21
InChIInChI=1S/C26H25FN4O4/c1-4-30-25-24(16(3)29-31(25)19-7-5-6-17(27)12-19)15(2)20(26(30)33)9-11-23(32)28-18-8-10-21-22(13-18)35-14-34-21/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,28,32)
InChIKeyHKWBLDZMBSGMFP-UHFFFAOYSA-N
XLogP4.26
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(1,3-benzodioxol-5-ylmethyl)-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961331
N-(3,4-difluorophenyl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961278
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-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961608
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)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791202
N-[(2-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961620
N-benzyl-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961356
N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961304
N-[(4-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961623
N-(1,3-benzodioxol-5-yl)-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961058

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of 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) is N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide is CCn1c(=O)c(CCC(=O)Nc2ccc3c(c2)OCO3)c(C)c2c(C)nn(-c3cccc(F)c3)c21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is HKWBLDZMBSGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-4-30-25-24(16(3)29-31(25)19-7-5-6-17(27)12-19)15(2)20(26(30)33)9-11-23(32)28-18-8-10-21-22(13-18)35-14-34-21/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,28,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 476.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 20961396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).