6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide

C22H26F2N4O3 — CID 121364962

IUPAC6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(C(C)(C)O)cc2n1
InChIInChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)
InChIKeyKUVQZECJMMGNIY-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.01
Rot. Bonds7

About 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 121364962) has the molecular formula C22H26F2N4O3 and a molecular weight of 432.47 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID121364962
Molecular FormulaC22H26F2N4O3
Molecular Weight432.47 g/mol
Exact Mass432.20
IUPAC Name6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(C(C)(C)O)cc2n1
InChIInChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)
InChIKeyKUVQZECJMMGNIY-UHFFFAOYSA-N
XLogP4.01
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide (CID 121364962) is 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide is CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(C(C)(C)O)cc2n1.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is KUVQZECJMMGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29).
What are the key properties of 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121364962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).