2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine

C32H27ClF5N7O2 — CID 167010433

IUPAC2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
SMILESFc1cc(Cl)ccc1COc1cc(C2=CCN(Cc3nc4cc(-c5n[nH]c(C(F)(F)F)n5)cnc4n3C[C@@H]3CCO3)CC2)ccc1F
InChIInChI=1S/C32H27ClF5N7O2/c33-22-3-1-20(25(35)13-22)17-47-27-12-19(2-4-24(27)34)18-5-8-44(9-6-18)16-28-40-26-11-21(29-41-31(43-42-29)32(36,37)38)14-39-30(26)45(28)15-23-7-10-46-23/h1-5,11-14,23H,6-10,15-17H2,(H,41,42,43)/t23-/m0/s1
InChIKeyXZGPVXYGYXDNMO-QHCPKHFHSA-N
MW672.06 g/mol
LogP6.82
Rot. Bonds9

About 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine

2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine (PubChem CID 167010433) has the molecular formula C32H27ClF5N7O2 and a molecular weight of 672.06 g/mol. Its IUPAC name is 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
PubChem CID167010433
Molecular FormulaC32H27ClF5N7O2
Molecular Weight672.06 g/mol
Exact Mass671.18
IUPAC Name2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
SMILESFc1cc(Cl)ccc1COc1cc(C2=CCN(Cc3nc4cc(-c5n[nH]c(C(F)(F)F)n5)cnc4n3C[C@@H]3CCO3)CC2)ccc1F
InChIInChI=1S/C32H27ClF5N7O2/c33-22-3-1-20(25(35)13-22)17-47-27-12-19(2-4-24(27)34)18-5-8-44(9-6-18)16-28-40-26-11-21(29-41-31(43-42-29)32(36,37)38)14-39-30(26)45(28)15-23-7-10-46-23/h1-5,11-14,23H,6-10,15-17H2,(H,41,42,43)/t23-/m0/s1
InChIKeyXZGPVXYGYXDNMO-QHCPKHFHSA-N
XLogP6.82
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.06
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

[2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite
CID 167010430
2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
CID 167010352
2-[[(2S)-4-[4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoropyrimidin-2-yl]-2-methylpiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
CID 169090553
6-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]piperidin-1-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridazine
CID 169090425
6-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoropyrimidin-2-yl]piperidin-1-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridazine
CID 169090778
2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine
CID 175953217
2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]piperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine
CID 169090808
N'-[2-[2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-2,2,2-trifluoro-N-(methylideneamino)ethanimidamide
CID 167010150
6-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-4-yl]piperidin-1-yl]methyl]-7-(oxetan-2-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridazine
CID 167010345
1-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-4-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]piperazin-2-one
CID 175941466
2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole
CID 167010171
2-[[4-[[6-[(4-chlorophenyl)methyl]-2-pyridinyl]oxy]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
CID 167002791

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine (CID 167010433) is 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine is Fc1cc(Cl)ccc1COc1cc(C2=CCN(Cc3nc4cc(-c5n[nH]c(C(F)(F)F)n5)cnc4n3C[C@@H]3CCO3)CC2)ccc1F.
What is the InChIKey of 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is XZGPVXYGYXDNMO-QHCPKHFHSA-N. The full InChI is InChI=1S/C32H27ClF5N7O2/c33-22-3-1-20(25(35)13-22)17-47-27-12-19(2-4-24(27)34)18-5-8-44(9-6-18)16-28-40-26-11-21(29-41-31(43-42-29)32(36,37)38)14-39-30(26)45(28)15-23-7-10-46-23/h1-5,11-14,23H,6-10,15-17H2,(H,41,42,43)/t23-/m0/s1.
What are the key properties of 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine?
2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 672.06 g/mol, XLogP of 6.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 167010433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).