5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one

C19H21ClN6O3S — CID 123675483

IUPAC5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one
SMILESCOc1ccc(C2CC2COc2nn(C)c(=O)c(NCc3nnc(C)s3)c2Cl)nc1
InChIInChI=1S/C19H21ClN6O3S/c1-10-23-24-15(30-10)8-22-17-16(20)18(25-26(2)19(17)27)29-9-11-6-13(11)14-5-4-12(28-3)7-21-14/h4-5,7,11,13,22H,6,8-9H2,1-3H3
InChIKeyMAYJSSRSYWYJLT-UHFFFAOYSA-N
MW448.94 g/mol
LogP2.79
Rot. Bonds8

About 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one

5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one (PubChem CID 123675483) has the molecular formula C19H21ClN6O3S and a molecular weight of 448.94 g/mol. Its IUPAC name is 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one
PubChem CID123675483
Molecular FormulaC19H21ClN6O3S
Molecular Weight448.94 g/mol
Exact Mass448.11
IUPAC Name5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one
SMILESCOc1ccc(C2CC2COc2nn(C)c(=O)c(NCc3nnc(C)s3)c2Cl)nc1
InChIInChI=1S/C19H21ClN6O3S/c1-10-23-24-15(30-10)8-22-17-16(20)18(25-26(2)19(17)27)29-9-11-6-13(11)14-5-4-12(28-3)7-21-14/h4-5,7,11,13,22H,6,8-9H2,1-3H3
InChIKeyMAYJSSRSYWYJLT-UHFFFAOYSA-N
XLogP2.79
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one (CID 123675483) is 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one is COc1ccc(C2CC2COc2nn(C)c(=O)c(NCc3nnc(C)s3)c2Cl)nc1.
What is the InChIKey of 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one?
The InChIKey is MAYJSSRSYWYJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O3S/c1-10-23-24-15(30-10)8-22-17-16(20)18(25-26(2)19(17)27)29-9-11-6-13(11)14-5-4-12(28-3)7-21-14/h4-5,7,11,13,22H,6,8-9H2,1-3H3.
What are the key properties of 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one?
5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one has a molecular weight of 448.94 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 123675483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).