1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H19N5O — CID 171906826

IUPAC1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2c1C(c1ccc(C)n1-c1cccnc1)CC(=O)N2
InChIInChI=1S/C18H19N5O/c1-11-6-7-15(23(11)13-5-4-8-19-10-13)14-9-16(24)20-18-17(14)12(2)21-22(18)3/h4-8,10,14H,9H2,1-3H3,(H,20,24)
InChIKeyUXBDDONJGVWWME-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.70
Rot. Bonds2

About 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 171906826) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID171906826
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2c1C(c1ccc(C)n1-c1cccnc1)CC(=O)N2
InChIInChI=1S/C18H19N5O/c1-11-6-7-15(23(11)13-5-4-8-19-10-13)14-9-16(24)20-18-17(14)12(2)21-22(18)3/h4-8,10,14H,9H2,1-3H3,(H,20,24)
InChIKeyUXBDDONJGVWWME-UHFFFAOYSA-N
XLogP2.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737738
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
4-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 136861074
(4R)-4-(2,4-dichlorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826052
(4S)-1,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826258
(4S)-1,3-dimethyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826229
1-methyl-4-(2-methylpyrazol-3-yl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169413276
(4R)-1,3-dimethyl-4-(4-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826093
(4R)-4-cyclohexyl-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826185
(4R)-1-(6-chloropyridazin-3-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878765
(4S)-4-(4-cyclopentyloxyphenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826138

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 171906826) is 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)c2c1C(c1ccc(C)n1-c1cccnc1)CC(=O)N2.
What is the InChIKey of 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UXBDDONJGVWWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-6-7-15(23(11)13-5-4-8-19-10-13)14-9-16(24)20-18-17(14)12(2)21-22(18)3/h4-8,10,14H,9H2,1-3H3,(H,20,24).
What are the key properties of 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 321.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 171906826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).