N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine

C20H15F3N8 — CID 70922773

IUPACN-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccnc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N8/c1-11(29-17-15-16(26-9-25-15)27-10-28-17)18-30-14-6-3-7-24-19(14)31(18)13-5-2-4-12(8-13)20(21,22)23/h2-11H,1H3,(H2,25,26,27,28,29)/t11-/m0/s1
InChIKeyBFLHMLIYDAGXER-NSHDSACASA-N
MW424.39 g/mol
LogP4.28
Rot. Bonds4

About N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine

N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine (PubChem CID 70922773) has the molecular formula C20H15F3N8 and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
PubChem CID70922773
Molecular FormulaC20H15F3N8
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC NameN-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccnc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N8/c1-11(29-17-15-16(26-9-25-15)27-10-28-17)18-30-14-6-3-7-24-19(14)31(18)13-5-2-4-12(8-13)20(21,22)23/h2-11H,1H3,(H2,25,26,27,28,29)/t11-/m0/s1
InChIKeyBFLHMLIYDAGXER-NSHDSACASA-N
XLogP4.28
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 70980277
5-fluoro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043702
N-[1-[7-(aminomethyl)-1-phenylbenzimidazol-2-yl]ethyl]-7H-purin-6-amine
CID 123719354
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854
3-[5-methyl-4-oxo-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzonitrile
CID 11517414
6-methyl-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 129129564
3-(4-chlorophenyl)-5-fluoro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043983
3-(2,4-difluorophenyl)-5-fluoro-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043712
3-(2,4-difluorophenyl)-5-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044232
3-(3,5-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044120
3-(3,4-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044127
3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 70922429

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine (CID 70922773) is N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine is C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccnc2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The InChIKey is BFLHMLIYDAGXER-NSHDSACASA-N. The full InChI is InChI=1S/C20H15F3N8/c1-11(29-17-15-16(26-9-25-15)27-10-28-17)18-30-14-6-3-7-24-19(14)31(18)13-5-2-4-12(8-13)20(21,22)23/h2-11H,1H3,(H2,25,26,27,28,29)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine?
N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine has a molecular weight of 424.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 70922773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).