N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C25H28F3N5O3 — CID 122445698

IUPACN-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCC(=O)C(NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C25H28F3N5O3/c1-16(34)23(18-10-13-29-14-11-18)32-22(35)9-8-21-31-20-3-2-12-30-24(20)33(21)15-17-4-6-19(7-5-17)36-25(26,27)28/h2-7,12,18,23,29H,8-11,13-15H2,1H3,(H,32,35)
InChIKeyICCDEBFXZHVWNE-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.38
Rot. Bonds9

About N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 122445698) has the molecular formula C25H28F3N5O3 and a molecular weight of 503.53 g/mol. Its IUPAC name is N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID122445698
Molecular FormulaC25H28F3N5O3
Molecular Weight503.53 g/mol
Exact Mass503.21
IUPAC NameN-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCC(=O)C(NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C25H28F3N5O3/c1-16(34)23(18-10-13-29-14-11-18)32-22(35)9-8-21-31-20-3-2-12-30-24(20)33(21)15-17-4-6-19(7-5-17)36-25(26,27)28/h2-7,12,18,23,29H,8-11,13-15H2,1H3,(H,32,35)
InChIKeyICCDEBFXZHVWNE-UHFFFAOYSA-N
XLogP3.38
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-pyridin-2-ylethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 174235348
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-[(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-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)-2,3-dihydro-1H-inden-1-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445685
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-(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
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-phenylmethoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445615
(2S)-2-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]amino]-4-methylsulfanylbutanoic acid
CID 122445704

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 122445698) is N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is CC(=O)C(NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is ICCDEBFXZHVWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O3/c1-16(34)23(18-10-13-29-14-11-18)32-22(35)9-8-21-31-20-3-2-12-30-24(20)33(21)15-17-4-6-19(7-5-17)36-25(26,27)28/h2-7,12,18,23,29H,8-11,13-15H2,1H3,(H,32,35).
What are the key properties of N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 503.53 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-piperidin-4-ylpropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 122445698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).