6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide

C23H27F3N4O3 — CID 121364975

IUPAC6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cccc(C(=O)Nc2cc3cn(CCCC(F)(F)F)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C23H27F3N4O3/c1-21(2,32)15-12-17-14(13-30(29-17)10-6-9-23(24,25)26)11-18(15)28-20(31)16-7-5-8-19(27-16)22(3,4)33/h5,7-8,11-13,32-33H,6,9-10H2,1-4H3,(H,28,31)
InChIKeyRYFZQBGEZMHRHH-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.48
Rot. Bonds7

About 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide

6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 121364975) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID121364975
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cccc(C(=O)Nc2cc3cn(CCCC(F)(F)F)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C23H27F3N4O3/c1-21(2,32)15-12-17-14(13-30(29-17)10-6-9-23(24,25)26)11-18(15)28-20(31)16-7-5-8-19(27-16)22(3,4)33/h5,7-8,11-13,32-33H,6,9-10H2,1-4H3,(H,28,31)
InChIKeyRYFZQBGEZMHRHH-UHFFFAOYSA-N
XLogP4.48
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide (CID 121364975) is 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide is CC(C)(O)c1cccc(C(=O)Nc2cc3cn(CCCC(F)(F)F)nc3cc2C(C)(C)O)n1.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is RYFZQBGEZMHRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-21(2,32)15-12-17-14(13-30(29-17)10-6-9-23(24,25)26)11-18(15)28-20(31)16-7-5-8-19(27-16)22(3,4)33/h5,7-8,11-13,32-33H,6,9-10H2,1-4H3,(H,28,31).
What are the key properties of 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide?
6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-yl)-2-(4,4,4-trifluorobutyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121364975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).