2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one

C21H21N7O2 — CID 126926657

IUPAC2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one
SMILESCn1c(N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)nc2ccccc2c1=O
InChIInChI=1S/C21H21N7O2/c1-25-20(30)16-6-2-3-7-17(16)23-21(25)27-11-4-5-15(27)13-28-19(29)9-8-18(24-28)26-12-10-22-14-26/h2-3,6-10,12,14-15H,4-5,11,13H2,1H3
InChIKeyPPZOESUQOADCAE-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.34
Rot. Bonds4

About 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one

2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126926657) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one
PubChem CID126926657
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one
SMILESCn1c(N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)nc2ccccc2c1=O
InChIInChI=1S/C21H21N7O2/c1-25-20(30)16-6-2-3-7-17(16)23-21(25)27-11-4-5-15(27)13-28-19(29)9-8-18(24-28)26-12-10-22-14-26/h2-3,6-10,12,14-15H,4-5,11,13H2,1H3
InChIKeyPPZOESUQOADCAE-UHFFFAOYSA-N
XLogP1.34
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925591
6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926440
3-methyl-2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126925989
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926660
6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926405
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926503
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926498
6-imidazol-1-yl-2-[[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926545
2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926381
1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
CID 126925970
6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926534
6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926376

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one (CID 126926657) is 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one is Cn1c(N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is PPZOESUQOADCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-25-20(30)16-6-2-3-7-17(16)23-21(25)27-11-4-5-15(27)13-28-19(29)9-8-18(24-28)26-12-10-22-14-26/h2-3,6-10,12,14-15H,4-5,11,13H2,1H3.
What are the key properties of 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one?
2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 403.45 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126926657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).