3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C28H31FN4O3 — CID 20961625

IUPAC3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1nn(-c2cccc(F)c2)c2c1c(C)c(CCC(=O)NCc1ccc(OC(C)C)cc1)c(=O)n2C
InChIInChI=1S/C28H31FN4O3/c1-17(2)36-23-11-9-20(10-12-23)16-30-25(34)14-13-24-18(3)26-19(4)31-33(27(26)32(5)28(24)35)22-8-6-7-21(29)15-22/h6-12,15,17H,13-14,16H2,1-5H3,(H,30,34)
InChIKeyNHKQXIJNTFGOAV-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.52
Rot. Bonds8

About 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 20961625) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID20961625
Molecular FormulaC28H31FN4O3
Molecular Weight490.58 g/mol
Exact Mass490.24
IUPAC Name3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1nn(-c2cccc(F)c2)c2c1c(C)c(CCC(=O)NCc1ccc(OC(C)C)cc1)c(=O)n2C
InChIInChI=1S/C28H31FN4O3/c1-17(2)36-23-11-9-20(10-12-23)16-30-25(34)14-13-24-18(3)26-19(4)31-33(27(26)32(5)28(24)35)22-8-6-7-21(29)15-22/h6-12,15,17H,13-14,16H2,1-5H3,(H,30,34)
InChIKeyNHKQXIJNTFGOAV-UHFFFAOYSA-N
XLogP4.52
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961623
N-[(2-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961620
3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanoic acid
CID 20854873
N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961608
3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20961095
N-benzyl-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961356
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-(3,4,5-trimethoxyphenyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961514
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-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961304
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-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9042472

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 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) is 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is Cc1nn(-c2cccc(F)c2)c2c1c(C)c(CCC(=O)NCc1ccc(OC(C)C)cc1)c(=O)n2C.
What is the InChIKey of 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is NHKQXIJNTFGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-17(2)36-23-11-9-20(10-12-23)16-30-25(34)14-13-24-18(3)26-19(4)31-33(27(26)32(5)28(24)35)22-8-6-7-21(29)15-22/h6-12,15,17H,13-14,16H2,1-5H3,(H,30,34).
What are the key properties of 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 490.58 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 20961625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).