6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide

C18H18F2N4O2 — CID 164801989

IUPAC6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(C)(F)F)n1
InChIInChI=1S/C18H18F2N4O2/c1-17(2,26)11-8-13-10(9-21-24-13)7-14(11)23-16(25)12-5-4-6-15(22-12)18(3,19)20/h4-9,26H,1-3H3,(H,21,24)(H,23,25)
InChIKeyADFZUIIFSOKFLX-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.55
Rot. Bonds4

About 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide

6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide (PubChem CID 164801989) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
PubChem CID164801989
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(C)(F)F)n1
InChIInChI=1S/C18H18F2N4O2/c1-17(2,26)11-8-13-10(9-21-24-13)7-14(11)23-16(25)12-5-4-6-15(22-12)18(3,19)20/h4-9,26H,1-3H3,(H,21,24)(H,23,25)
InChIKeyADFZUIIFSOKFLX-UHFFFAOYSA-N
XLogP3.55
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(difluoromethyl)-1H-indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
CID 155448654
N-(6-cyclopropyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568086
2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 169214978
N-[6-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 138727771
carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium
CID 155751858
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
CID 156794494
N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
CID 146589495
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 121364946
N-[6-(2-hydroxypropan-2-yl)-2-(3-methylsulfonylpropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 121364969
2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158850062

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide (CID 164801989) is 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide is CC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(C)(F)F)n1.
What is the InChIKey of 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is ADFZUIIFSOKFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-17(2,26)11-8-13-10(9-21-24-13)7-14(11)23-16(25)12-5-4-6-15(22-12)18(3,19)20/h4-9,26H,1-3H3,(H,21,24)(H,23,25).
What are the key properties of 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?
6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 164801989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).