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

C26H23F3N4O2 — CID 140836322

IUPAC(2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESNC(=O)[C@@H](Cc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C1CCc2ccccc21
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)35-18-10-7-16(8-11-18)15-33-23(32-22-6-3-13-31-25(22)33)14-21(24(30)34)20-12-9-17-4-1-2-5-19(17)20/h1-8,10-11,13,20-21H,9,12,14-15H2,(H2,30,34)/t20?,21-/m0/s1
InChIKeyBFZBIAOYFXDBPP-LBAQZLPGSA-N
MW480.49 g/mol
LogP4.75
Rot. Bonds7

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

(2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 140836322) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID140836322
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name(2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESNC(=O)[C@@H](Cc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C1CCc2ccccc21
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)35-18-10-7-16(8-11-18)15-33-23(32-22-6-3-13-31-25(22)33)14-21(24(30)34)20-12-9-17-4-1-2-5-19(17)20/h1-8,10-11,13,20-21H,9,12,14-15H2,(H2,30,34)/t20?,21-/m0/s1
InChIKeyBFZBIAOYFXDBPP-LBAQZLPGSA-N
XLogP4.75
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(3S)-3-benzyl-4-hydroxy-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 140836352
(3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 140836306
(3S)-3-[4-[(3S)-3-methylpiperazin-1-yl]phenyl]-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 153492874
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-(1-pyridin-2-ylethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 174235348
N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445698
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
(3R)-4-hydroxy-2-methyl-3-phenyl-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylbutanamide
CID 140836337
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-(1,3-oxazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445596
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(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 (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) is (2S)-2-(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 (2S)-2-(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 (2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is NC(=O)[C@@H](Cc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C1CCc2ccccc21.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is BFZBIAOYFXDBPP-LBAQZLPGSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c27-26(28,29)35-18-10-7-16(8-11-18)15-33-23(32-22-6-3-13-31-25(22)33)14-21(24(30)34)20-12-9-17-4-1-2-5-19(17)20/h1-8,10-11,13,20-21H,9,12,14-15H2,(H2,30,34)/t20?,21-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
(2S)-2-(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 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(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 140836322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).