2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole

C22H24Cl2N6O — CID 161019072

IUPAC2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCN1CCC(c2nnc(-c3cc4c(nn3)CCCN4Cc3cc(Cl)ccc3Cl)o2)CC1
InChIInChI=1S/C22H24Cl2N6O/c1-29-9-6-14(7-10-29)21-27-28-22(31-21)19-12-20-18(25-26-19)3-2-8-30(20)13-15-11-16(23)4-5-17(15)24/h4-5,11-12,14H,2-3,6-10,13H2,1H3
InChIKeyTYCRAXFRLPDHFR-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.60
Rot. Bonds4

About 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole

2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole (PubChem CID 161019072) has the molecular formula C22H24Cl2N6O and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole
PubChem CID161019072
Molecular FormulaC22H24Cl2N6O
Molecular Weight459.38 g/mol
Exact Mass458.14
IUPAC Name2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCN1CCC(c2nnc(-c3cc4c(nn3)CCCN4Cc3cc(Cl)ccc3Cl)o2)CC1
InChIInChI=1S/C22H24Cl2N6O/c1-29-9-6-14(7-10-29)21-27-28-22(31-21)19-12-20-18(25-26-19)3-2-8-30(20)13-15-11-16(23)4-5-17(15)24/h4-5,11-12,14H,2-3,6-10,13H2,1H3
InChIKeyTYCRAXFRLPDHFR-UHFFFAOYSA-N
XLogP4.60
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[5-[(2,6-dichloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 158077046
2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 137010838
5-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-3-piperidin-4-yl-1,2,4-oxadiazole;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[3,2-c]pyridazine;2-[5-[(2,6-dichloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;1-[5-[(2,6-dichloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-4-phenylbutan-1-one;4-[4-[5-[(2,6-dichloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]phenyl]morpholine;5-[(2,6-dichloro-3-fluorophenyl)methyl]-3-(5-piperidin-4-yl-4H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
CID 159583584
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 121478270
1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626515
5-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 158758569
4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 82486187
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 104524995
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-cyclobutyl-1,3,4-oxadiazole
CID 11996193

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole (CID 161019072) is 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole is CN1CCC(c2nnc(-c3cc4c(nn3)CCCN4Cc3cc(Cl)ccc3Cl)o2)CC1.
What is the InChIKey of 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole?
The InChIKey is TYCRAXFRLPDHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6O/c1-29-9-6-14(7-10-29)21-27-28-22(31-21)19-12-20-18(25-26-19)3-2-8-30(20)13-15-11-16(23)4-5-17(15)24/h4-5,11-12,14H,2-3,6-10,13H2,1H3.
What are the key properties of 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole?
2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 459.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 161019072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).