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

C24H22F2N4O — CID 122445549

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H22F2N4O/c1-16(18-6-10-20(26)11-7-18)28-23(31)13-12-22-29-21-3-2-14-27-24(21)30(22)15-17-4-8-19(25)9-5-17/h2-11,14,16H,12-13,15H2,1H3,(H,28,31)/t16-/m0/s1
InChIKeyIUZDPVJRKQSJHB-INIZCTEOSA-N
MW420.46 g/mol
LogP4.57
Rot. Bonds7

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

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 122445549) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID122445549
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H22F2N4O/c1-16(18-6-10-20(26)11-7-18)28-23(31)13-12-22-29-21-3-2-14-27-24(21)30(22)15-17-4-8-19(25)9-5-17/h2-11,14,16H,12-13,15H2,1H3,(H,28,31)/t16-/m0/s1
InChIKeyIUZDPVJRKQSJHB-INIZCTEOSA-N
XLogP4.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 122445549) is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is IUZDPVJRKQSJHB-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-16(18-6-10-20(26)11-7-18)28-23(31)13-12-22-29-21-3-2-14-27-24(21)30(22)15-17-4-8-19(25)9-5-17/h2-11,14,16H,12-13,15H2,1H3,(H,28,31)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 420.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 122445549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).