N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H21F3N4O3 — CID 137377435

IUPACN-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn([C@H]3CCOC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O3/c1-20(2,30)14-9-16-12(10-28(27-16)13-6-7-31-11-13)8-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-5,8-10,13,30H,6-7,11H2,1-2H3,(H,26,29)/t13-/m0/s1
InChIKeyKWISQFLSAWNNRM-ZDUSSCGKSA-N
MW434.42 g/mol
LogP3.89
Rot. Bonds4

About N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 137377435) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID137377435
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn([C@H]3CCOC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O3/c1-20(2,30)14-9-16-12(10-28(27-16)13-6-7-31-11-13)8-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-5,8-10,13,30H,6-7,11H2,1-2H3,(H,26,29)/t13-/m0/s1
InChIKeyKWISQFLSAWNNRM-ZDUSSCGKSA-N
XLogP3.89
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 137377435) is N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn([C@H]3CCOC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KWISQFLSAWNNRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-20(2,30)14-9-16-12(10-28(27-16)13-6-7-31-11-13)8-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-5,8-10,13,30H,6-7,11H2,1-2H3,(H,26,29)/t13-/m0/s1.
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-[(3S)-oxolan-3-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 137377435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).