N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide

C19H20F2N4O3 — CID 155444096

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide
SMILESCC(C)(O)CCn1cc2cc(C(=O)Nc3cccc(C(F)F)n3)c(O)cc2n1
InChIInChI=1S/C19H20F2N4O3/c1-19(2,28)6-7-25-10-11-8-12(15(26)9-14(11)24-25)18(27)23-16-5-3-4-13(22-16)17(20)21/h3-5,8-10,17,26,28H,6-7H2,1-2H3,(H,22,23,27)
InChIKeyJZLHSNJDTBSFCD-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.49
Rot. Bonds6

About N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide (PubChem CID 155444096) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide
PubChem CID155444096
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide
SMILESCC(C)(O)CCn1cc2cc(C(=O)Nc3cccc(C(F)F)n3)c(O)cc2n1
InChIInChI=1S/C19H20F2N4O3/c1-19(2,28)6-7-25-10-11-8-12(15(26)9-14(11)24-25)18(27)23-16-5-3-4-13(22-16)17(20)21/h3-5,8-10,17,26,28H,6-7H2,1-2H3,(H,22,23,27)
InChIKeyJZLHSNJDTBSFCD-UHFFFAOYSA-N
XLogP3.49
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(2-methoxyethyl)indazole-5-carboxamide
CID 155438456
methyl 2-(3,3-dichloro-3-hydroxypropyl)-5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121371008
N-[6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137199891
N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 155444070
6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide
CID 121364958
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
CID 151930847
N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride
CID 155438577
2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
CID 150709122
6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
CID 129283899
N-[6-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
CID 165162264
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166875

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide (CID 155444096) is N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide is CC(C)(O)CCn1cc2cc(C(=O)Nc3cccc(C(F)F)n3)c(O)cc2n1.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide?
The InChIKey is JZLHSNJDTBSFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-19(2,28)6-7-25-10-11-8-12(15(26)9-14(11)24-25)18(27)23-16-5-3-4-13(22-16)17(20)21/h3-5,8-10,17,26,28H,6-7H2,1-2H3,(H,22,23,27).
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide?
N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide is sourced from PubChem (CID 155444096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).