N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C22H21F3N4O2 — CID 58267344

IUPACN-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)21-17-5-1-2-6-18(17)29(28-21)14-19(30)27-13-15-8-10-16(11-9-15)31-20-7-3-4-12-26-20/h3-4,7-12H,1-2,5-6,13-14H2,(H,27,30)
InChIKeyMXLSPONFOQSEAL-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.28
Rot. Bonds6

About N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 58267344) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID58267344
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)21-17-5-1-2-6-18(17)29(28-21)14-19(30)27-13-15-8-10-16(11-9-15)31-20-7-3-4-12-26-20/h3-4,7-12H,1-2,5-6,13-14H2,(H,27,30)
InChIKeyMXLSPONFOQSEAL-UHFFFAOYSA-N
XLogP4.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 58267344) is N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccc(Oc2ccccn2)cc1.
What is the InChIKey of N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is MXLSPONFOQSEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)21-17-5-1-2-6-18(17)29(28-21)14-19(30)27-13-15-8-10-16(11-9-15)31-20-7-3-4-12-26-20/h3-4,7-12H,1-2,5-6,13-14H2,(H,27,30).
What are the key properties of N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 430.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-2-yloxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 58267344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).