N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide

C15H15N5O4 — CID 6736200

IUPACN'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCOc1c(C(=O)NNC(=O)c2ccco2)cnc2c1c(C)nn2C
InChIInChI=1S/C15H15N5O4/c1-8-11-12(23-3)9(7-16-13(11)20(2)19-8)14(21)17-18-15(22)10-5-4-6-24-10/h4-7H,1-3H3,(H,17,21)(H,18,22)
InChIKeyIVMXVFNLIDHYET-UHFFFAOYSA-N
MW329.32 g/mol
LogP0.95
Rot. Bonds3

About N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide

N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide (PubChem CID 6736200) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide.

Molecular Properties

Compound NameN'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide
PubChem CID6736200
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC NameN'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCOc1c(C(=O)NNC(=O)c2ccco2)cnc2c1c(C)nn2C
InChIInChI=1S/C15H15N5O4/c1-8-11-12(23-3)9(7-16-13(11)20(2)19-8)14(21)17-18-15(22)10-5-4-6-24-10/h4-7H,1-3H3,(H,17,21)(H,18,22)
InChIKeyIVMXVFNLIDHYET-UHFFFAOYSA-N
XLogP0.95
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[4-(furan-2-carbonylamino)phenyl]methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466379
[2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31653648
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
5-ethyl-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
CID 142181984
[2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-pyrrol-1-ylphenyl)methanone
CID 3550190
N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 50826708
2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 4204758
N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 17442210
1,3-dimethyl-4-prop-2-ynoxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 112580943
1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106596785

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The IUPAC name of N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide (CID 6736200) is N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide.
What is the SMILES notation for N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The canonical SMILES for N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide is COc1c(C(=O)NNC(=O)c2ccco2)cnc2c1c(C)nn2C.
What is the InChIKey of N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The InChIKey is IVMXVFNLIDHYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-8-11-12(23-3)9(7-16-13(11)20(2)19-8)14(21)17-18-15(22)10-5-4-6-24-10/h4-7H,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide has a molecular weight of 329.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide is sourced from PubChem (CID 6736200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).