2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one

C26H30ClN5O2 — CID 71184667

IUPAC2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one
SMILESNCC1(c2cccc(Cl)c2)CCC(n2nc(-c3ccc(N4CCOCC4)nc3)ccc2=O)CC1
InChIInChI=1S/C26H30ClN5O2/c27-21-3-1-2-20(16-21)26(18-28)10-8-22(9-11-26)32-25(33)7-5-23(30-32)19-4-6-24(29-17-19)31-12-14-34-15-13-31/h1-7,16-17,22H,8-15,18,28H2
InChIKeyJMOYOTRQBDZORW-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.81
Rot. Bonds5

About 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one

2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one (PubChem CID 71184667) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one
PubChem CID71184667
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one
SMILESNCC1(c2cccc(Cl)c2)CCC(n2nc(-c3ccc(N4CCOCC4)nc3)ccc2=O)CC1
InChIInChI=1S/C26H30ClN5O2/c27-21-3-1-2-20(16-21)26(18-28)10-8-22(9-11-26)32-25(33)7-5-23(30-32)19-4-6-24(29-17-19)31-12-14-34-15-13-31/h1-7,16-17,22H,8-15,18,28H2
InChIKeyJMOYOTRQBDZORW-UHFFFAOYSA-N
XLogP3.81
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one?
The IUPAC name of 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one (CID 71184667) is 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one.
What is the SMILES notation for 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one?
The canonical SMILES for 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one is NCC1(c2cccc(Cl)c2)CCC(n2nc(-c3ccc(N4CCOCC4)nc3)ccc2=O)CC1.
What is the InChIKey of 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one?
The InChIKey is JMOYOTRQBDZORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c27-21-3-1-2-20(16-21)26(18-28)10-8-22(9-11-26)32-25(33)7-5-23(30-32)19-4-6-24(29-17-19)31-12-14-34-15-13-31/h1-7,16-17,22H,8-15,18,28H2.
What are the key properties of 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one?
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one has a molecular weight of 480.01 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-one is sourced from PubChem (CID 71184667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).