ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine

C21H22FN5O — CID 145061644

IUPACethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
SMILESCC.COc1ccc(-c2nc3nccc(-c4ccc(CN)c(F)c4)c3[nH]2)nc1
InChIInChI=1S/C19H16FN5O.C2H6/c1-26-13-4-5-16(23-10-13)18-24-17-14(6-7-22-19(17)25-18)11-2-3-12(9-21)15(20)8-11;1-2/h2-8,10H,9,21H2,1H3,(H,22,24,25);1-2H3
InChIKeyCJAHLXONQFKTKZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.32
Rot. Bonds4

About ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine

ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine (PubChem CID 145061644) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine.

Molecular Properties

Compound Nameethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
PubChem CID145061644
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Nameethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
SMILESCC.COc1ccc(-c2nc3nccc(-c4ccc(CN)c(F)c4)c3[nH]2)nc1
InChIInChI=1S/C19H16FN5O.C2H6/c1-26-13-4-5-16(23-10-13)18-24-17-14(6-7-22-19(17)25-18)11-2-3-12(9-21)15(20)8-11;1-2/h2-8,10H,9,21H2,1H3,(H,22,24,25);1-2H3
InChIKeyCJAHLXONQFKTKZ-UHFFFAOYSA-N
XLogP4.32
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine with MolForge

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Related Compounds

8-cyclopropyl-6-fluoro-4-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 121249776
[2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
CID 121249907
4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide
CID 121249947
3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121250004
5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
CID 171803536
3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937475
1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136937656
7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 137135651
3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463568
3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one
CID 159724382
N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-propan-2-ylquinazolin-4-amine
CID 171803760
5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 136937473

Frequently Asked Questions

What is the IUPAC name of ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine?
The IUPAC name of ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine (CID 145061644) is ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine.
What is the SMILES notation for ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine?
The canonical SMILES for ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine is CC.COc1ccc(-c2nc3nccc(-c4ccc(CN)c(F)c4)c3[nH]2)nc1.
What is the InChIKey of ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine?
The InChIKey is CJAHLXONQFKTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O.C2H6/c1-26-13-4-5-16(23-10-13)18-24-17-14(6-7-22-19(17)25-18)11-2-3-12(9-21)15(20)8-11;1-2/h2-8,10H,9,21H2,1H3,(H,22,24,25);1-2H3.
What are the key properties of ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine?
ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine has a molecular weight of 379.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine is sourced from PubChem (CID 145061644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).