4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine

C21H19F3N6 — CID 155123696

IUPAC4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
SMILESNCCCCc1cccc(-c2ccc3cnn(-c4cncc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C21H19F3N6/c22-21(23,24)19-12-26-13-20(29-19)30-18-10-14(7-8-15(18)11-27-30)17-6-3-5-16(28-17)4-1-2-9-25/h3,5-8,10-13H,1-2,4,9,25H2
InChIKeyVCFAOGURZOVPCH-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.18
Rot. Bonds6

About 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine

4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine (PubChem CID 155123696) has the molecular formula C21H19F3N6 and a molecular weight of 412.42 g/mol. Its IUPAC name is 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
PubChem CID155123696
Molecular FormulaC21H19F3N6
Molecular Weight412.42 g/mol
Exact Mass412.16
IUPAC Name4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
SMILESNCCCCc1cccc(-c2ccc3cnn(-c4cncc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C21H19F3N6/c22-21(23,24)19-12-26-13-20(29-19)30-18-10-14(7-8-15(18)11-27-30)17-6-3-5-16(28-17)4-1-2-9-25/h3,5-8,10-13H,1-2,4,9,25H2
InChIKeyVCFAOGURZOVPCH-UHFFFAOYSA-N
XLogP4.18
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
CID 155123770
2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 155123625
6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
CID 118664464
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
CID 118664225
6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
CID 160750396
2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one
CID 118664535
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol
CID 155123759
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 155123690
N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methanamine
CID 154826505
2-(aminomethyl)-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-4-amine
CID 118664082
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol
CID 155123662
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
CID 118664726

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The IUPAC name of 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine (CID 155123696) is 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine.
What is the SMILES notation for 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The canonical SMILES for 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine is NCCCCc1cccc(-c2ccc3cnn(-c4cncc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The InChIKey is VCFAOGURZOVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6/c22-21(23,24)19-12-26-13-20(29-19)30-18-10-14(7-8-15(18)11-27-30)17-6-3-5-16(28-17)4-1-2-9-25/h3,5-8,10-13H,1-2,4,9,25H2.
What are the key properties of 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine has a molecular weight of 412.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine is sourced from PubChem (CID 155123696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).