N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate

C39H34F3N7O5 — CID 159178619

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
SMILESCOC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1.C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H20F2N4O2.C16H14FN3O3/c1-15(17-6-10-19(25)11-7-17)27-21(30)14-31-23-28-20-3-2-12-26-22(20)29(23)13-16-4-8-18(24)9-5-16;1-22-14(21)10-23-16-19-13-3-2-8-18-15(13)20(16)9-11-4-6-12(17)7-5-11/h2-12,15H,13-14H2,1H3,(H,27,30);2-8H,9-10H2,1H3/t15-;/m0./s1
InChIKeyKMPGEMNYOLMCNP-RSAXXLAASA-N
MW737.74 g/mol
LogP6.18
Rot. Bonds12

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate (PubChem CID 159178619) has the molecular formula C39H34F3N7O5 and a molecular weight of 737.74 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
PubChem CID159178619
Molecular FormulaC39H34F3N7O5
Molecular Weight737.74 g/mol
Exact Mass737.26
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
SMILESCOC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1.C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H20F2N4O2.C16H14FN3O3/c1-15(17-6-10-19(25)11-7-17)27-21(30)14-31-23-28-20-3-2-12-26-22(20)29(23)13-16-4-8-18(24)9-5-16;1-22-14(21)10-23-16-19-13-3-2-8-18-15(13)20(16)9-11-4-6-12(17)7-5-11/h2-12,15H,13-14H2,1H3,(H,27,30);2-8H,9-10H2,1H3/t15-;/m0./s1
InChIKeyKMPGEMNYOLMCNP-RSAXXLAASA-N
XLogP6.18
TPSA135.28 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.74
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate (CID 159178619) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate is COC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1.C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate?
The InChIKey is KMPGEMNYOLMCNP-RSAXXLAASA-N. The full InChI is InChI=1S/C23H20F2N4O2.C16H14FN3O3/c1-15(17-6-10-19(25)11-7-17)27-21(30)14-31-23-28-20-3-2-12-26-22(20)29(23)13-16-4-8-18(24)9-5-16;1-22-14(21)10-23-16-19-13-3-2-8-18-15(13)20(16)9-11-4-6-12(17)7-5-11/h2-12,15H,13-14H2,1H3,(H,27,30);2-8H,9-10H2,1H3/t15-;/m0./s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate has a molecular weight of 737.74 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate is sourced from PubChem (CID 159178619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).