N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide

C25H25FN6O — CID 50830755

IUPACN-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1
InChIInChI=1S/C25H25FN6O/c26-20-10-8-19(9-11-20)17-28-25(33)31-15-13-30(14-16-31)18-23-29-22-7-4-12-27-24(22)32(23)21-5-2-1-3-6-21/h1-12H,13-18H2,(H,28,33)
InChIKeyUSKKRPYLHIUJAB-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.59
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 50830755) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
PubChem CID50830755
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1
InChIInChI=1S/C25H25FN6O/c26-20-10-8-19(9-11-20)17-28-25(33)31-15-13-30(14-16-31)18-23-29-22-7-4-12-27-24(22)32(23)21-5-2-1-3-6-21/h1-12H,13-18H2,(H,28,33)
InChIKeyUSKKRPYLHIUJAB-UHFFFAOYSA-N
XLogP3.59
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830761
4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53120860
N-(3,4-dimethylphenyl)-4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120855
N-(2,5-difluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53007715
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53085239
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 53022727
N-[(2S)-butan-2-yl]-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 95089700
N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120831
N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 6622635
N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022675
N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53011622

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide (CID 50830755) is N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is USKKRPYLHIUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c26-20-10-8-19(9-11-20)17-28-25(33)31-15-13-30(14-16-31)18-23-29-22-7-4-12-27-24(22)32(23)21-5-2-1-3-6-21/h1-12H,13-18H2,(H,28,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 50830755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).