6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one

C18H24ClN5O — CID 66743341

IUPAC6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one
SMILESCC(C)N1CCC(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1
InChIInChI=1S/C18H24ClN5O/c1-12(2)24-8-6-13(7-9-24)14-4-5-17(20-11-14)21-15-10-16(19)22-23(3)18(15)25/h4-5,10-13H,6-9H2,1-3H3,(H,20,21)
InChIKeyFKUWTEJYCVTLPS-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.16
Rot. Bonds4

About 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one

6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one (PubChem CID 66743341) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one
PubChem CID66743341
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one
SMILESCC(C)N1CCC(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1
InChIInChI=1S/C18H24ClN5O/c1-12(2)24-8-6-13(7-9-24)14-4-5-17(20-11-14)21-15-10-16(19)22-23(3)18(15)25/h4-5,10-13H,6-9H2,1-3H3,(H,20,21)
InChIKeyFKUWTEJYCVTLPS-UHFFFAOYSA-N
XLogP3.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one?
The IUPAC name of 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one (CID 66743341) is 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one is CC(C)N1CCC(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1.
What is the InChIKey of 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one?
The InChIKey is FKUWTEJYCVTLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-12(2)24-8-6-13(7-9-24)14-4-5-17(20-11-14)21-15-10-16(19)22-23(3)18(15)25/h4-5,10-13H,6-9H2,1-3H3,(H,20,21).
What are the key properties of 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one?
6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one has a molecular weight of 361.88 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one is sourced from PubChem (CID 66743341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).