N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine

C24H24F3N5O — CID 177305391

IUPACN-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESFc1cc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)ccc1N1CCC(F)(F)CC1
InChIInChI=1S/C24H24F3N5O/c25-18-14-16(3-5-20(18)32-11-8-24(26,27)9-12-32)15-29-19-7-10-28-23-22(19)30-21(31-23)6-4-17-2-1-13-33-17/h1-3,5,7,10,13-14H,4,6,8-9,11-12,15H2,(H2,28,29,30,31)
InChIKeyHRPUQNUWAYORHX-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.32
Rot. Bonds7

About N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine

N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 177305391) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID177305391
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC NameN-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESFc1cc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)ccc1N1CCC(F)(F)CC1
InChIInChI=1S/C24H24F3N5O/c25-18-14-16(3-5-20(18)32-11-8-24(26,27)9-12-32)15-29-19-7-10-28-23-22(19)30-21(31-23)6-4-17-2-1-13-33-17/h1-3,5,7,10,13-14H,4,6,8-9,11-12,15H2,(H2,28,29,30,31)
InChIKeyHRPUQNUWAYORHX-UHFFFAOYSA-N
XLogP5.32
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluoro-3-{[3-(9H-purin-6-yl)pyridin-2-yl]amino}phenyl)furan-3-sulfonamide
CID 56965341
Roscovitine derivative 1
CID 73353575
3-[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
CID 134611728
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 11952665
2-N-(4-aminocyclohexyl)-6-N-[[4-(furan-2-yl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine
CID 20609846
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165372
3-methoxy-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 73330893
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-furan-3-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine
CID 73350613
N-[4-fluoro-3-[6-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76314293
N-[4-fluoro-3-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 76332422

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 177305391) is N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine is Fc1cc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)ccc1N1CCC(F)(F)CC1.
What is the InChIKey of N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is HRPUQNUWAYORHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c25-18-14-16(3-5-20(18)32-11-8-24(26,27)9-12-32)15-29-19-7-10-28-23-22(19)30-21(31-23)6-4-17-2-1-13-33-17/h1-3,5,7,10,13-14H,4,6,8-9,11-12,15H2,(H2,28,29,30,31).
What are the key properties of N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 455.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 177305391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).