6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one

C26H27N5O4 — CID 20894006

IUPAC6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1C(C)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C26H27N5O4/c1-17-21-16-27-31(20-8-5-4-6-9-20)26(34)23(21)18(2)30(17)19(3)24(32)28-11-13-29(14-12-28)25(33)22-10-7-15-35-22/h4-10,15-16,19H,11-14H2,1-3H3
InChIKeyBWTFATYYZVMVRC-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.94
Rot. Bonds4

About 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one

6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 20894006) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID20894006
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1C(C)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C26H27N5O4/c1-17-21-16-27-31(20-8-5-4-6-9-20)26(34)23(21)18(2)30(17)19(3)24(32)28-11-13-29(14-12-28)25(33)22-10-7-15-35-22/h4-10,15-16,19H,11-14H2,1-3H3
InChIKeyBWTFATYYZVMVRC-UHFFFAOYSA-N
XLogP2.94
TPSA93.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one with MolForge

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Related Compounds

N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide
CID 20894045
1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 92865157
5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53044085
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2-benzothiazol-3-one
CID 22514868
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetic acid
CID 20887936
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
12-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 16859112
6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081825
3-amino-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119673047
(2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 40810099
furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 20915108

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one (CID 20894006) is 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one is Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1C(C)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is BWTFATYYZVMVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-17-21-16-27-31(20-8-5-4-6-9-20)26(34)23(21)18(2)30(17)19(3)24(32)28-11-13-29(14-12-28)25(33)22-10-7-15-35-22/h4-10,15-16,19H,11-14H2,1-3H3.
What are the key properties of 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 473.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 20894006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).