N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine

C31H32F3N5O — CID 154398099

IUPACN-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(CN(CC(F)(F)F)c2noc(C)c2C)c1
InChIInChI=1S/C31H32F3N5O/c1-6-27-36-28-19(2)14-20(3)35-30(28)39(27)16-23-12-13-26(24-10-8-7-9-11-24)25(15-23)17-38(18-31(32,33)34)29-21(4)22(5)40-37-29/h7-15H,6,16-18H2,1-5H3
InChIKeyWNTRIQSQQWDWDU-UHFFFAOYSA-N
MW547.63 g/mol
LogP7.50
Rot. Bonds8

About N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine

N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine (PubChem CID 154398099) has the molecular formula C31H32F3N5O and a molecular weight of 547.63 g/mol. Its IUPAC name is N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine
PubChem CID154398099
Molecular FormulaC31H32F3N5O
Molecular Weight547.63 g/mol
Exact Mass547.26
IUPAC NameN-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(CN(CC(F)(F)F)c2noc(C)c2C)c1
InChIInChI=1S/C31H32F3N5O/c1-6-27-36-28-19(2)14-20(3)35-30(28)39(27)16-23-12-13-26(24-10-8-7-9-11-24)25(15-23)17-38(18-31(32,33)34)29-21(4)22(5)40-37-29/h7-15H,6,16-18H2,1-5H3
InChIKeyWNTRIQSQQWDWDU-UHFFFAOYSA-N
XLogP7.50
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.63
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine?
The IUPAC name of N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine (CID 154398099) is N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine?
The canonical SMILES for N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(CN(CC(F)(F)F)c2noc(C)c2C)c1.
What is the InChIKey of N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine?
The InChIKey is WNTRIQSQQWDWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N5O/c1-6-27-36-28-19(2)14-20(3)35-30(28)39(27)16-23-12-13-26(24-10-8-7-9-11-24)25(15-23)17-38(18-31(32,33)34)29-21(4)22(5)40-37-29/h7-15H,6,16-18H2,1-5H3.
What are the key properties of N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine?
N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine has a molecular weight of 547.63 g/mol, XLogP of 7.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylphenyl]methyl]-4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 154398099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).