4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide

C22H23N5O3 — CID 20919783

IUPAC4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide
SMILESCc1nn(CCCC(=O)NCc2ccco2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C22H23N5O3/c1-15-20-16(2)27(17-8-4-3-5-9-17)25-21(20)22(29)26(24-15)12-6-11-19(28)23-14-18-10-7-13-30-18/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,28)
InChIKeyJXTPRQGOIDOHGW-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.89
Rot. Bonds7

About 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide

4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 20919783) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide
PubChem CID20919783
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide
SMILESCc1nn(CCCC(=O)NCc2ccco2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C22H23N5O3/c1-15-20-16(2)27(17-8-4-3-5-9-17)25-21(20)22(29)26(24-15)12-6-11-19(28)23-14-18-10-7-13-30-18/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,28)
InChIKeyJXTPRQGOIDOHGW-UHFFFAOYSA-N
XLogP2.89
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide with MolForge

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Related Compounds

N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
2-(Furan-2-ylmethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 44190740
N-(2-ethoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880044
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
2-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(2-furylmethyl)hydrazinecarbothioamide
CID 9549680

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide (CID 20919783) is 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide is Cc1nn(CCCC(=O)NCc2ccco2)c(=O)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is JXTPRQGOIDOHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15-20-16(2)27(17-8-4-3-5-9-17)25-21(20)22(29)26(24-15)12-6-11-19(28)23-14-18-10-7-13-30-18/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,28).
What are the key properties of 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide?
4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 405.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 20919783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).