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

C21H18F3N5S — CID 170964638

IUPAC6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine
SMILESCCc1ccc2cnn(C)c2c1NSc1ccc(-c2ccnc(C(F)(F)F)c2)nc1
InChIInChI=1S/C21H18F3N5S/c1-3-13-4-5-15-11-27-29(2)20(15)19(13)28-30-16-6-7-17(26-12-16)14-8-9-25-18(10-14)21(22,23)24/h4-12,28H,3H2,1-2H3
InChIKeyYEFRXPGSPUHZII-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.73
Rot. Bonds5

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

6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine (PubChem CID 170964638) has the molecular formula C21H18F3N5S and a molecular weight of 429.47 g/mol. Its IUPAC name is 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine.

Molecular Properties

Compound Name6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine
PubChem CID170964638
Molecular FormulaC21H18F3N5S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC Name6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine
SMILESCCc1ccc2cnn(C)c2c1NSc1ccc(-c2ccnc(C(F)(F)F)c2)nc1
InChIInChI=1S/C21H18F3N5S/c1-3-13-4-5-15-11-27-29(2)20(15)19(13)28-30-16-6-7-17(26-12-16)14-8-9-25-18(10-14)21(22,23)24/h4-12,28H,3H2,1-2H3
InChIKeyYEFRXPGSPUHZII-UHFFFAOYSA-N
XLogP5.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide
CID 171463706
N-(6-ethyl-1-methylindazol-7-yl)acetamide
CID 167348397
N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969157
CID 170969259
CID 170969259
1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine
CID 166366462
1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one
CID 170964719
1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093563
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine
CID 170964934
1-methyl-N-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]sulfanylindazol-7-amine
CID 170969390
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
1-methyl-N-[2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethylsulfanyl]indazol-7-amine
CID 177051884
N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide
CID 170965180

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine?
The IUPAC name of 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine (CID 170964638) is 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine.
What is the SMILES notation for 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine?
The canonical SMILES for 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine is CCc1ccc2cnn(C)c2c1NSc1ccc(-c2ccnc(C(F)(F)F)c2)nc1.
What is the InChIKey of 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine?
The InChIKey is YEFRXPGSPUHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5S/c1-3-13-4-5-15-11-27-29(2)20(15)19(13)28-30-16-6-7-17(26-12-16)14-8-9-25-18(10-14)21(22,23)24/h4-12,28H,3H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine?
6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine has a molecular weight of 429.47 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine is sourced from PubChem (CID 170964638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).