N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine

C26H21F3N6O2 — CID 118664141

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine
SMILESCOc1ccc(CNc2cncc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)n2)c(OC)c1
InChIInChI=1S/C26H21F3N6O2/c1-36-19-9-8-18(22(11-19)37-2)12-31-24-15-30-14-20(33-24)16-6-7-17-13-32-35(21(17)10-16)25-5-3-4-23(34-25)26(27,28)29/h3-11,13-15H,12H2,1-2H3,(H,31,33)
InChIKeyZGDXHQLIZAUVMF-UHFFFAOYSA-N
MW506.49 g/mol
LogP5.53
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine (PubChem CID 118664141) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine
PubChem CID118664141
Molecular FormulaC26H21F3N6O2
Molecular Weight506.49 g/mol
Exact Mass506.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine
SMILESCOc1ccc(CNc2cncc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)n2)c(OC)c1
InChIInChI=1S/C26H21F3N6O2/c1-36-19-9-8-18(22(11-19)37-2)12-31-24-15-30-14-20(33-24)16-6-7-17-13-32-35(21(17)10-16)25-5-3-4-23(34-25)26(27,28)29/h3-11,13-15H,12H2,1-2H3,(H,31,33)
InChIKeyZGDXHQLIZAUVMF-UHFFFAOYSA-N
XLogP5.53
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.49
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine (CID 118664141) is N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine is COc1ccc(CNc2cncc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine?
The InChIKey is ZGDXHQLIZAUVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c1-36-19-9-8-18(22(11-19)37-2)12-31-24-15-30-14-20(33-24)16-6-7-17-13-32-35(21(17)10-16)25-5-3-4-23(34-25)26(27,28)29/h3-11,13-15H,12H2,1-2H3,(H,31,33).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine has a molecular weight of 506.49 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyrazin-2-amine is sourced from PubChem (CID 118664141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).