[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone

C24H23Cl2N5O — CID 121478283

IUPAC[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc3c(nn2)NCCN3Cc2cc(Cl)ccc2Cl)cc1)N1CCCC1
InChIInChI=1S/C24H23Cl2N5O/c25-19-7-8-20(26)18(13-19)15-31-12-9-27-23-22(31)14-21(28-29-23)16-3-5-17(6-4-16)24(32)30-10-1-2-11-30/h3-8,13-14H,1-2,9-12,15H2,(H,27,29)
InChIKeyIHFIBGCMLLKEHZ-UHFFFAOYSA-N
MW468.39 g/mol
LogP5.12
Rot. Bonds4

About [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone

[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 121478283) has the molecular formula C24H23Cl2N5O and a molecular weight of 468.39 g/mol. Its IUPAC name is [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID121478283
Molecular FormulaC24H23Cl2N5O
Molecular Weight468.39 g/mol
Exact Mass467.13
IUPAC Name[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc3c(nn2)NCCN3Cc2cc(Cl)ccc2Cl)cc1)N1CCCC1
InChIInChI=1S/C24H23Cl2N5O/c25-19-7-8-20(26)18(13-19)15-31-12-9-27-23-22(31)14-21(28-29-23)16-3-5-17(6-4-16)24(32)30-10-1-2-11-30/h3-8,13-14H,1-2,9-12,15H2,(H,27,29)
InChIKeyIHFIBGCMLLKEHZ-UHFFFAOYSA-N
XLogP5.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 121478283) is [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2cc3c(nn2)NCCN3Cc2cc(Cl)ccc2Cl)cc1)N1CCCC1.
What is the InChIKey of [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is IHFIBGCMLLKEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O/c25-19-7-8-20(26)18(13-19)15-31-12-9-27-23-22(31)14-21(28-29-23)16-3-5-17(6-4-16)24(32)30-10-1-2-11-30/h3-8,13-14H,1-2,9-12,15H2,(H,27,29).
What are the key properties of [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 468.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 121478283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).