2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone

C24H23F2N9O3 — CID 167377254

About 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone

2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 167377254) has the molecular formula C24H23F2N9O3 and a molecular weight of 523.50 g/mol. Its IUPAC name is 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
• PubChem CID: 167377254
• Molecular Formula: C24H23F2N9O3
• Molecular Weight: 523.50 g/mol
• Exact Mass: 523.19
• IUPAC Name: 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
• SMILES: O=C(Cc1nnc(-c2cnc(NC3Cc4ccc(COC(F)F)cc4C3)nc2)o1)N1CCc2n[nH]nc2C1
• InChI: InChI=1S/C24H23F2N9O3/c25-23(26)37-12-13-1-2-14-6-17(7-15(14)5-13)29-24-27-9-16(10-28-24)22-33-32-20(38-22)8-21(36)35-4-3-18-19(11-35)31-34-30-18/h1-2,5,9-10,17,23H,3-4,6-8,11-12H2,(H,27,28,29)(H,30,31,34)
• InChIKey: ZTIRYRVNDGVULI-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 147.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.50
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?

The IUPAC name of 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone (CID 167377254) is 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone.

What is the SMILES notation for 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?

The canonical SMILES for 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone is O=C(Cc1nnc(-c2cnc(NC3Cc4ccc(COC(F)F)cc4C3)nc2)o1)N1CCc2n[nH]nc2C1.

What is the InChIKey of 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?

The InChIKey is ZTIRYRVNDGVULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N9O3/c25-23(26)37-12-13-1-2-14-6-17(7-15(14)5-13)29-24-27-9-16(10-28-24)22-33-32-20(38-22)8-21(36)35-4-3-18-19(11-35)31-34-30-18/h1-2,5,9-10,17,23H,3-4,6-8,11-12H2,(H,27,28,29)(H,30,31,34).

What are the key properties of 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?

2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 523.50 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 167377254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).