6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine

C18H15F3N6OS — CID 170964674

IUPAC6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine
SMILESCOc1ccc2cn(C)nc2c1NSc1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C18H15F3N6OS/c1-26-9-11-3-5-14(28-2)17(16(11)24-26)25-29-13-4-6-15(22-8-13)27-10-12(7-23-27)18(19,20)21/h3-10,25H,1-2H3
InChIKeyAEIYWCMHJNRJPX-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.30
Rot. Bonds5

About 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine

6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine (PubChem CID 170964674) has the molecular formula C18H15F3N6OS and a molecular weight of 420.42 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine
PubChem CID170964674
Molecular FormulaC18H15F3N6OS
Molecular Weight420.42 g/mol
Exact Mass420.10
IUPAC Name6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine
SMILESCOc1ccc2cn(C)nc2c1NSc1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C18H15F3N6OS/c1-26-9-11-3-5-14(28-2)17(16(11)24-26)25-29-13-4-6-15(22-8-13)27-10-12(7-23-27)18(19,20)21/h3-10,25H,1-2H3
InChIKeyAEIYWCMHJNRJPX-UHFFFAOYSA-N
XLogP4.30
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine?
The IUPAC name of 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine (CID 170964674) is 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine is COc1ccc2cn(C)nc2c1NSc1ccc(-n2cc(C(F)(F)F)cn2)nc1.
What is the InChIKey of 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine?
The InChIKey is AEIYWCMHJNRJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6OS/c1-26-9-11-3-5-14(28-2)17(16(11)24-26)25-29-13-4-6-15(22-8-13)27-10-12(7-23-27)18(19,20)21/h3-10,25H,1-2H3.
What are the key properties of 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine?
6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine has a molecular weight of 420.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine is sourced from PubChem (CID 170964674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).