N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C26H23F3N4O2 — CID 122445685

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)35-19-10-7-17(8-11-19)16-33-23(31-22-6-3-15-30-25(22)33)13-14-24(34)32-21-12-9-18-4-1-2-5-20(18)21/h1-8,10-11,15,21H,9,12-14,16H2,(H,32,34)/t21-/m0/s1
InChIKeyCLRBHTHLCFNRRE-NRFANRHFSA-N
MW480.49 g/mol
LogP5.11
Rot. Bonds7

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 122445685) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID122445685
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)35-19-10-7-17(8-11-19)16-33-23(31-22-6-3-15-30-25(22)33)13-14-24(34)32-21-12-9-18-4-1-2-5-20(18)21/h1-8,10-11,15,21H,9,12-14,16H2,(H,32,34)/t21-/m0/s1
InChIKeyCLRBHTHLCFNRRE-NRFANRHFSA-N
XLogP5.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 140836322
N-(1-pyridin-2-ylethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 174235348
N-(1,3-oxazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445596
N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445698
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445665
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445548
N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 174237650
N-[(1S)-1-[4-(2-methylpropylamino)phenyl]ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485164
N-[(1S)-1-[4-(2-aminoethylamino)phenyl]ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485163
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;methyl (2R)-3-phenyl-2-[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]propanoate
CID 159928105
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
3-[[4-(1,1-difluoroethoxy)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
CID 145133101

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 122445685) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is CLRBHTHLCFNRRE-NRFANRHFSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c27-26(28,29)35-19-10-7-17(8-11-19)16-33-23(31-22-6-3-15-30-25(22)33)13-14-24(34)32-21-12-9-18-4-1-2-5-20(18)21/h1-8,10-11,15,21H,9,12-14,16H2,(H,32,34)/t21-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 480.49 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 122445685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).