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

C26H26Cl2N4O — CID 147035240

IUPAC[4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](c1cc(Cl)ccc1Cl)N1CCCc2nnc(-c3ccc(C(=O)N4CCCC4)cc3)cc21
InChIInChI=1S/C26H26Cl2N4O/c1-17(21-15-20(27)10-11-22(21)28)32-14-4-5-23-25(32)16-24(30-29-23)18-6-8-19(9-7-18)26(33)31-12-2-3-13-31/h6-11,15-17H,2-5,12-14H2,1H3/t17-/m1/s1
InChIKeyAYJGQOIVWXLRRL-QGZVFWFLSA-N
MW481.43 g/mol
LogP6.20
Rot. Bonds4

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

[4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 147035240) has the molecular formula C26H26Cl2N4O and a molecular weight of 481.43 g/mol. Its IUPAC name is [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID147035240
Molecular FormulaC26H26Cl2N4O
Molecular Weight481.43 g/mol
Exact Mass480.15
IUPAC Name[4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](c1cc(Cl)ccc1Cl)N1CCCc2nnc(-c3ccc(C(=O)N4CCCC4)cc3)cc21
InChIInChI=1S/C26H26Cl2N4O/c1-17(21-15-20(27)10-11-22(21)28)32-14-4-5-23-25(32)16-24(30-29-23)18-6-8-19(9-7-18)26(33)31-12-2-3-13-31/h6-11,15-17H,2-5,12-14H2,1H3/t17-/m1/s1
InChIKeyAYJGQOIVWXLRRL-QGZVFWFLSA-N
XLogP6.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 121478283
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
2-chloro-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228855
[4-[[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]amino]-3-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 121478150
[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 58955857
(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882454
2-(4-chlorophenyl)-4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 53003708
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 21110887
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
1-(2,5-dichlorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17300379
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 147035240) is [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone is C[C@H](c1cc(Cl)ccc1Cl)N1CCCc2nnc(-c3ccc(C(=O)N4CCCC4)cc3)cc21.
What is the InChIKey of [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AYJGQOIVWXLRRL-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26Cl2N4O/c1-17(21-15-20(27)10-11-22(21)28)32-14-4-5-23-25(32)16-24(30-29-23)18-6-8-19(9-7-18)26(33)31-12-2-3-13-31/h6-11,15-17H,2-5,12-14H2,1H3/t17-/m1/s1.
What are the key properties of [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 481.43 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 147035240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).