2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide

C22H27N5O3 — CID 22575787

IUPAC2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCN2CCOCC2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C22H27N5O3/c1-16-14-20(29)26(15-19(28)23-8-9-25-10-12-30-13-11-25)22-21(16)17(2)24-27(22)18-6-4-3-5-7-18/h3-7,14H,8-13,15H2,1-2H3,(H,23,28)
InChIKeyPROVABNKVQQYDR-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.25
Rot. Bonds6

About 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 22575787) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID22575787
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCN2CCOCC2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C22H27N5O3/c1-16-14-20(29)26(15-19(28)23-8-9-25-10-12-30-13-11-25)22-21(16)17(2)24-27(22)18-6-4-3-5-7-18/h3-7,14H,8-13,15H2,1-2H3,(H,23,28)
InChIKeyPROVABNKVQQYDR-UHFFFAOYSA-N
XLogP1.25
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Difenamizole
CID 65695
N-(2-methoxyethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 3227789
2-amino-N-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzyl)acetamide
CID 49862286
1-(1-(2-methoxyethyl)-3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121373220
2-(5-butyl-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-phenylacetamide
CID 2813828
7-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
CID 16026241
2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(1-phenylethyl)acetamide
CID 16026399
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one
CID 16026405
7-[2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 16026471
N-tert-butyl-2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026492
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 16026498
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
CID 16026504

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 22575787) is 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(=O)n(CC(=O)NCCN2CCOCC2)c2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is PROVABNKVQQYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-16-14-20(29)26(15-19(28)23-8-9-25-10-12-30-13-11-25)22-21(16)17(2)24-27(22)18-6-4-3-5-7-18/h3-7,14H,8-13,15H2,1-2H3,(H,23,28).
What are the key properties of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 22575787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).