4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine

C25H23F5N6O — CID 24738786

IUPAC4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC(Oc3ccc(-n4c(C(F)(F)C(F)(F)F)nc5cccnc54)cc3)CC2)ccn1
InChIInChI=1S/C25H23F5N6O/c26-24(27,25(28,29)30)23-34-20-2-1-10-33-22(20)36(23)17-3-5-18(6-4-17)37-19-8-12-35(13-9-19)15-16-7-11-32-21(31)14-16/h1-7,10-11,14,19H,8-9,12-13,15H2,(H2,31,32)
InChIKeyYRCXGYRGESOUIN-UHFFFAOYSA-N
MW518.49 g/mol
LogP5.10
Rot. Bonds6

About 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine

4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 24738786) has the molecular formula C25H23F5N6O and a molecular weight of 518.49 g/mol. Its IUPAC name is 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID24738786
Molecular FormulaC25H23F5N6O
Molecular Weight518.49 g/mol
Exact Mass518.19
IUPAC Name4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC(Oc3ccc(-n4c(C(F)(F)C(F)(F)F)nc5cccnc54)cc3)CC2)ccn1
InChIInChI=1S/C25H23F5N6O/c26-24(27,25(28,29)30)23-34-20-2-1-10-33-22(20)36(23)17-3-5-18(6-4-17)37-19-8-12-35(13-9-19)15-16-7-11-32-21(31)14-16/h1-7,10-11,14,19H,8-9,12-13,15H2,(H2,31,32)
InChIKeyYRCXGYRGESOUIN-UHFFFAOYSA-N
XLogP5.10
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

Raf265
CID 11656518
N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
2-[3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 66788835

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine (CID 24738786) is 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CCC(Oc3ccc(-n4c(C(F)(F)C(F)(F)F)nc5cccnc54)cc3)CC2)ccn1.
What is the InChIKey of 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is YRCXGYRGESOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N6O/c26-24(27,25(28,29)30)23-34-20-2-1-10-33-22(20)36(23)17-3-5-18(6-4-17)37-19-8-12-35(13-9-19)15-16-7-11-32-21(31)14-16/h1-7,10-11,14,19H,8-9,12-13,15H2,(H2,31,32).
What are the key properties of 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?
4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 518.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[2-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 24738786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).