1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one

C19H20N6O2S — CID 170964719

IUPAC1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one
SMILESCOc1ccc2cnn(C)c2c1NSc1ccc(-n2cc(C)n(C)c2=O)nc1
InChIInChI=1S/C19H20N6O2S/c1-12-11-25(19(26)23(12)2)16-8-6-14(10-20-16)28-22-17-15(27-4)7-5-13-9-21-24(3)18(13)17/h5-11,22H,1-4H3
InChIKeyFPUWMJMBCWCSQJ-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.89
Rot. Bonds5

About 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one

1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one (PubChem CID 170964719) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one
PubChem CID170964719
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one
SMILESCOc1ccc2cnn(C)c2c1NSc1ccc(-n2cc(C)n(C)c2=O)nc1
InChIInChI=1S/C19H20N6O2S/c1-12-11-25(19(26)23(12)2)16-8-6-14(10-20-16)28-22-17-15(27-4)7-5-13-9-21-24(3)18(13)17/h5-11,22H,1-4H3
InChIKeyFPUWMJMBCWCSQJ-UHFFFAOYSA-N
XLogP2.89
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one?
The IUPAC name of 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one (CID 170964719) is 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one.
What is the SMILES notation for 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one?
The canonical SMILES for 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one is COc1ccc2cnn(C)c2c1NSc1ccc(-n2cc(C)n(C)c2=O)nc1.
What is the InChIKey of 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one?
The InChIKey is FPUWMJMBCWCSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-12-11-25(19(26)23(12)2)16-8-6-14(10-20-16)28-22-17-15(27-4)7-5-13-9-21-24(3)18(13)17/h5-11,22H,1-4H3.
What are the key properties of 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one?
1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one has a molecular weight of 396.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one is sourced from PubChem (CID 170964719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).