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

C15H17N3O2 — CID 135768564

IUPAC1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCn1nc(C)c2c(-c3ccco3)cc(=O)[nH]c21
InChIInChI=1S/C15H17N3O2/c1-3-4-7-18-15-14(10(2)17-18)11(9-13(19)16-15)12-6-5-8-20-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyAUTWXNXCCCRBDS-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.09
Rot. Bonds4

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

1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135768564) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135768564
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCn1nc(C)c2c(-c3ccco3)cc(=O)[nH]c21
InChIInChI=1S/C15H17N3O2/c1-3-4-7-18-15-14(10(2)17-18)11(9-13(19)16-15)12-6-5-8-20-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyAUTWXNXCCCRBDS-UHFFFAOYSA-N
XLogP3.09
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 136692914
6-(furan-2-yl)-1-propylpyrimidine-2,4-dione
CID 121206638
2-(4-butyl-2-methylphenyl)furan
CID 168524679
4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135712905
5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360768
diethyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanedioate
CID 55513345
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
1-butyl-5-(furan-2-yl)triazole-4-carboxylic acid
CID 82202111
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312
N-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 4003285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43041124
N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482009

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135768564) is 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCCCn1nc(C)c2c(-c3ccco3)cc(=O)[nH]c21.
What is the InChIKey of 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AUTWXNXCCCRBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-4-7-18-15-14(10(2)17-18)11(9-13(19)16-15)12-6-5-8-20-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19).
What are the key properties of 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 271.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(furan-2-yl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135768564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).