1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate

C23H20F2N4O2 — CID 175151607

IUPAC1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate
SMILESCC(OC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)31-23(30)27-13-21-28-20-3-2-12-26-22(20)29(21)14-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)
InChIKeyNQWUQMKTMPEOJN-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.75
Rot. Bonds6

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

1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate (PubChem CID 175151607) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate
PubChem CID175151607
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate
SMILESCC(OC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)31-23(30)27-13-21-28-20-3-2-12-26-22(20)29(21)14-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)
InChIKeyNQWUQMKTMPEOJN-UHFFFAOYSA-N
XLogP4.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate
CID 160899091
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165937
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-nitrobenzamide
CID 53022362
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-phenylmethoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445615
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 122445690
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
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-propylbenzenesulfonamide
CID 53021069
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601
N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53022329
N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 145133130

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate?
The IUPAC name of 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate (CID 175151607) is 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate.
What is the SMILES notation for 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate?
The canonical SMILES for 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate is CC(OC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate?
The InChIKey is NQWUQMKTMPEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)31-23(30)27-13-21-28-20-3-2-12-26-22(20)29(21)14-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30).
What are the key properties of 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate?
1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate has a molecular weight of 422.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate is sourced from PubChem (CID 175151607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).