3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C23H23F2N7O — CID 165154431

IUPAC3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(OCc3ccnc4nc(C(F)F)[nH]c34)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H23F2N7O/c1-12-7-14(8-15-10-32(2)6-4-16(12)15)17-9-28-20(26)23(29-17)33-11-13-3-5-27-21-18(13)30-22(31-21)19(24)25/h3,5,7-9,19H,4,6,10-11H2,1-2H3,(H2,26,28)(H,27,30,31)
InChIKeyRNRSYTCPHABYSL-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.81
Rot. Bonds5

About 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 165154431) has the molecular formula C23H23F2N7O and a molecular weight of 451.48 g/mol. Its IUPAC name is 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
PubChem CID165154431
Molecular FormulaC23H23F2N7O
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(OCc3ccnc4nc(C(F)F)[nH]c34)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H23F2N7O/c1-12-7-14(8-15-10-32(2)6-4-16(12)15)17-9-28-20(26)23(29-17)33-11-13-3-5-27-21-18(13)30-22(31-21)19(24)25/h3,5,7-9,19H,4,6,10-11H2,1-2H3,(H2,26,28)(H,27,30,31)
InChIKeyRNRSYTCPHABYSL-UHFFFAOYSA-N
XLogP3.81
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The IUPAC name of 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 165154431) is 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The canonical SMILES for 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OCc3ccnc4nc(C(F)F)[nH]c34)n2)cc2c1CCN(C)C2.
What is the InChIKey of 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The InChIKey is RNRSYTCPHABYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O/c1-12-7-14(8-15-10-32(2)6-4-16(12)15)17-9-28-20(26)23(29-17)33-11-13-3-5-27-21-18(13)30-22(31-21)19(24)25/h3,5,7-9,19H,4,6,10-11H2,1-2H3,(H2,26,28)(H,27,30,31).
What are the key properties of 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 451.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 165154431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).