N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide

C24H22F3N5O2 — CID 147264906

IUPACN-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCO[C@H](C2=NN=C(c3cnc4ccccn34)C2)C1
InChIInChI=1S/C24H22F3N5O2/c1-31(23(33)15-5-4-6-16(11-15)24(25,26)27)17-8-10-34-21(12-17)19-13-18(29-30-19)20-14-28-22-7-2-3-9-32(20)22/h2-7,9,11,14,17,21H,8,10,12-13H2,1H3/t17-,21+/m1/s1
InChIKeyCPHDDBGAXMMKQA-UTKZUKDTSA-N
MW469.47 g/mol
LogP4.22
Rot. Bonds4

About N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide

N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 147264906) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID147264906
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC NameN-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCO[C@H](C2=NN=C(c3cnc4ccccn34)C2)C1
InChIInChI=1S/C24H22F3N5O2/c1-31(23(33)15-5-4-6-16(11-15)24(25,26)27)17-8-10-34-21(12-17)19-13-18(29-30-19)20-14-28-22-7-2-3-9-32(20)22/h2-7,9,11,14,17,21H,8,10,12-13H2,1H3/t17-,21+/m1/s1
InChIKeyCPHDDBGAXMMKQA-UTKZUKDTSA-N
XLogP4.22
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide (CID 147264906) is N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide is CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCO[C@H](C2=NN=C(c3cnc4ccccn34)C2)C1.
What is the InChIKey of N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is CPHDDBGAXMMKQA-UTKZUKDTSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-31(23(33)15-5-4-6-16(11-15)24(25,26)27)17-8-10-34-21(12-17)19-13-18(29-30-19)20-14-28-22-7-2-3-9-32(20)22/h2-7,9,11,14,17,21H,8,10,12-13H2,1H3/t17-,21+/m1/s1.
What are the key properties of N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide?
N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 469.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 147264906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).