N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide

C24H22F3N5O2 — CID 155061580

IUPACN-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCc1nc2ncc(N(C)C(=O)c3cccc(-n4nc(C(F)(F)F)c5c4C(C)CCC5)c3)cc2o1
InChIInChI=1S/C24H22F3N5O2/c1-13-6-4-9-18-20(13)32(30-21(18)24(25,26)27)16-8-5-7-15(10-16)23(33)31(3)17-11-19-22(28-12-17)29-14(2)34-19/h5,7-8,10-13H,4,6,9H2,1-3H3
InChIKeyOSBFSMATVRVEOA-UHFFFAOYSA-N
MW469.47 g/mol
LogP5.45
Rot. Bonds3

About N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide

N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide (PubChem CID 155061580) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
PubChem CID155061580
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC NameN-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCc1nc2ncc(N(C)C(=O)c3cccc(-n4nc(C(F)(F)F)c5c4C(C)CCC5)c3)cc2o1
InChIInChI=1S/C24H22F3N5O2/c1-13-6-4-9-18-20(13)32(30-21(18)24(25,26)27)16-8-5-7-15(10-16)23(33)31(3)17-11-19-22(28-12-17)29-14(2)34-19/h5,7-8,10-13H,4,6,9H2,1-3H3
InChIKeyOSBFSMATVRVEOA-UHFFFAOYSA-N
XLogP5.45
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The IUPAC name of N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide (CID 155061580) is N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide.
What is the SMILES notation for N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The canonical SMILES for N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide is Cc1nc2ncc(N(C)C(=O)c3cccc(-n4nc(C(F)(F)F)c5c4C(C)CCC5)c3)cc2o1.
What is the InChIKey of N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The InChIKey is OSBFSMATVRVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-13-6-4-9-18-20(13)32(30-21(18)24(25,26)27)16-8-5-7-15(10-16)23(33)31(3)17-11-19-22(28-12-17)29-14(2)34-19/h5,7-8,10-13H,4,6,9H2,1-3H3.
What are the key properties of N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide has a molecular weight of 469.47 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide is sourced from PubChem (CID 155061580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).