6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C21H21N5O2 — CID 126923438

IUPAC6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc2nccnc2c1)N1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C21H21N5O2/c27-20-8-7-17(14-3-4-14)24-26(20)13-16-2-1-11-25(16)21(28)15-5-6-18-19(12-15)23-10-9-22-18/h5-10,12,14,16H,1-4,11,13H2
InChIKeyDKIKRPOLLACUQW-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.37
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923438) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923438
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc2nccnc2c1)N1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C21H21N5O2/c27-20-8-7-17(14-3-4-14)24-26(20)13-16-2-1-11-25(16)21(28)15-5-6-18-19(12-15)23-10-9-22-18/h5-10,12,14,16H,1-4,11,13H2
InChIKeyDKIKRPOLLACUQW-UHFFFAOYSA-N
XLogP2.37
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785
2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923129
N-cyclopentyl-2-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]pyrrolidine-1-carboxamide
CID 126923428
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923445
[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 63753376
6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923404
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
6-cyclopropyl-2-[[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923719
6-cyclopropyl-2-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923415
[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone
CID 167959828
2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126927217

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923438) is 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=C(c1ccc2nccnc2c1)N1CCCC1Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is DKIKRPOLLACUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20-8-7-17(14-3-4-14)24-26(20)13-16-2-1-11-25(16)21(28)15-5-6-18-19(12-15)23-10-9-22-18/h5-10,12,14,16H,1-4,11,13H2.
What are the key properties of 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 375.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).