5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide

C24H19F4N5O2 — CID 86679699

IUPAC5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nn(C2CCCCO2)c2ccc(-c3cncc(F)c3)cc12
InChIInChI=1S/C24H19F4N5O2/c25-16-9-15(11-29-12-16)14-4-6-19-18(10-14)22(32-33(19)21-3-1-2-8-35-21)23(34)31-17-5-7-20(30-13-17)24(26,27)28/h4-7,9-13,21H,1-3,8H2,(H,31,34)
InChIKeyBGIDMUSPMYDMMT-UHFFFAOYSA-N
MW485.44 g/mol
LogP5.60
Rot. Bonds4

About 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide

5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide (PubChem CID 86679699) has the molecular formula C24H19F4N5O2 and a molecular weight of 485.44 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
PubChem CID86679699
Molecular FormulaC24H19F4N5O2
Molecular Weight485.44 g/mol
Exact Mass485.15
IUPAC Name5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nn(C2CCCCO2)c2ccc(-c3cncc(F)c3)cc12
InChIInChI=1S/C24H19F4N5O2/c25-16-9-15(11-29-12-16)14-4-6-19-18(10-14)22(32-33(19)21-3-1-2-8-35-21)23(34)31-17-5-7-20(30-13-17)24(26,27)28/h4-7,9-13,21H,1-3,8H2,(H,31,34)
InChIKeyBGIDMUSPMYDMMT-UHFFFAOYSA-N
XLogP5.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide (CID 86679699) is 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1nn(C2CCCCO2)c2ccc(-c3cncc(F)c3)cc12.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The InChIKey is BGIDMUSPMYDMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2/c25-16-9-15(11-29-12-16)14-4-6-19-18(10-14)22(32-33(19)21-3-1-2-8-35-21)23(34)31-17-5-7-20(30-13-17)24(26,27)28/h4-7,9-13,21H,1-3,8H2,(H,31,34).
What are the key properties of 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide has a molecular weight of 485.44 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 86679699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).