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

C20H15F3N8 — CID 70980277

IUPACN-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1nc2ccc(C(F)(F)F)nc2n1-c1ccccc1
InChIInChI=1S/C20H15F3N8/c1-11(28-17-15-16(25-9-24-15)26-10-27-17)18-29-13-7-8-14(20(21,22)23)30-19(13)31(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,24,25,26,27,28)
InChIKeyZXUFQNLGTPDUBK-UHFFFAOYSA-N
MW424.39 g/mol
LogP4.28
Rot. Bonds4

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

N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine (PubChem CID 70980277) has the molecular formula C20H15F3N8 and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
PubChem CID70980277
Molecular FormulaC20H15F3N8
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC NameN-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1nc2ccc(C(F)(F)F)nc2n1-c1ccccc1
InChIInChI=1S/C20H15F3N8/c1-11(28-17-15-16(25-9-24-15)26-10-27-17)18-29-13-7-8-14(20(21,22)23)30-19(13)31(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,24,25,26,27,28)
InChIKeyZXUFQNLGTPDUBK-UHFFFAOYSA-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-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 70922773
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854
6-methyl-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 129129564
N-[1-[7-(aminomethyl)-1-phenylbenzimidazol-2-yl]ethyl]-7H-purin-6-amine
CID 123719354
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 70922429
3-(3,5-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044120
3-(4-chlorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044334
3-(4-chlorophenyl)-5-fluoro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043983
5-chloro-6-fluoro-3-(2-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043919
5-fluoro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043702
3-(3,4-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044127

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine (CID 70980277) is N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1nc2ccc(C(F)(F)F)nc2n1-c1ccccc1.
What is the InChIKey of N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The InChIKey is ZXUFQNLGTPDUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N8/c1-11(28-17-15-16(25-9-24-15)26-10-27-17)18-29-13-7-8-14(20(21,22)23)30-19(13)31(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine?
N-[1-[3-phenyl-5-(trifluoromethyl)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-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 70980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).