N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

C26H25F3N4O2 — CID 66637397

IUPACN-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCCn1nc(C)c2cc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)C(O)c3ccccc3)ccc21
InChIInChI=1S/C26H25F3N4O2/c1-3-33-22-11-10-20(15-21(22)17(2)31-33)32(25(35)24(34)19-7-5-4-6-8-19)14-13-18-9-12-23(30-16-18)26(27,28)29/h4-12,15-16,24,34H,3,13-14H2,1-2H3
InChIKeyDDNQXPXHPZATMZ-UHFFFAOYSA-N
MW482.51 g/mol
LogP5.09
Rot. Bonds7

About N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 66637397) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID66637397
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC NameN-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCCn1nc(C)c2cc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)C(O)c3ccccc3)ccc21
InChIInChI=1S/C26H25F3N4O2/c1-3-33-22-11-10-20(15-21(22)17(2)31-33)32(25(35)24(34)19-7-5-4-6-8-19)14-13-18-9-12-23(30-16-18)26(27,28)29/h4-12,15-16,24,34H,3,13-14H2,1-2H3
InChIKeyDDNQXPXHPZATMZ-UHFFFAOYSA-N
XLogP5.09
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 66637397) is N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is CCn1nc(C)c2cc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)C(O)c3ccccc3)ccc21.
What is the InChIKey of N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is DDNQXPXHPZATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-3-33-22-11-10-20(15-21(22)17(2)31-33)32(25(35)24(34)19-7-5-4-6-8-19)14-13-18-9-12-23(30-16-18)26(27,28)29/h4-12,15-16,24,34H,3,13-14H2,1-2H3.
What are the key properties of N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 482.51 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylindazol-5-yl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 66637397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).