2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one

C18H24ClN5O — CID 49225795

IUPAC2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one
SMILESCC(C)(C)n1ncc(NCc2ccc(N3CCCC3)nc2)c(Cl)c1=O
InChIInChI=1S/C18H24ClN5O/c1-18(2,3)24-17(25)16(19)14(12-22-24)20-10-13-6-7-15(21-11-13)23-8-4-5-9-23/h6-7,11-12,20H,4-5,8-10H2,1-3H3
InChIKeyVTLKUKZFSJRLKQ-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.26
Rot. Bonds4

About 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one

2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one (PubChem CID 49225795) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one
PubChem CID49225795
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one
SMILESCC(C)(C)n1ncc(NCc2ccc(N3CCCC3)nc2)c(Cl)c1=O
InChIInChI=1S/C18H24ClN5O/c1-18(2,3)24-17(25)16(19)14(12-22-24)20-10-13-6-7-15(21-11-13)23-8-4-5-9-23/h6-7,11-12,20H,4-5,8-10H2,1-3H3
InChIKeyVTLKUKZFSJRLKQ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one with MolForge

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Related Compounds

1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260949
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
4-chloro-2-phenyl-5-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 55830941
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
4-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-nitrobenzamide
CID 55829238
1-[4-[(6-piperidin-1-yl-3-pyridinyl)methylamino]phenyl]butan-1-one
CID 68722266
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one (CID 49225795) is 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one is CC(C)(C)n1ncc(NCc2ccc(N3CCCC3)nc2)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one?
The InChIKey is VTLKUKZFSJRLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-18(2,3)24-17(25)16(19)14(12-22-24)20-10-13-6-7-15(21-11-13)23-8-4-5-9-23/h6-7,11-12,20H,4-5,8-10H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one has a molecular weight of 361.88 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 49225795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).