2-[5-[2-[[5-(oxolan-3-yl)-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

C26H27N9O3 — CID 167377265

IUPAC2-[5-[2-[[5-(oxolan-3-yl)-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
SMILESO=C(Cc1nnc(-c2cnc(NC3Cc4ccc(C5CCOC5)cc4C3)nc2)o1)N1CCc2n[nH]nc2C1
InChIInChI=1S/C26H27N9O3/c36-24(35-5-3-21-22(13-35)31-34-30-21)10-23-32-33-25(38-23)19-11-27-26(28-12-19)29-20-8-16-2-1-15(7-18(16)9-20)17-4-6-37-14-17/h1-2,7,11-12,17,20H,3-6,8-10,13-14H2,(H,27,28,29)(H,30,31,34)
InChIKeyKXJOXWZYZIXUEN-UHFFFAOYSA-N
MW513.56 g/mol
LogP1.86
Rot. Bonds6

About 2-[5-[2-[[5-(oxolan-3-yl)-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-(oxolan-3-yl)-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 167377265) has the molecular formula C26H27N9O3 and a molecular weight of 513.56 g/mol. Its IUPAC name is 2-[5-[2-[[5-(oxolan-3-yl)-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 Name2-[5-[2-[[5-(oxolan-3-yl)-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 CID167377265
Molecular FormulaC26H27N9O3
Molecular Weight513.56 g/mol
Exact Mass513.22
IUPAC Name2-[5-[2-[[5-(oxolan-3-yl)-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
SMILESO=C(Cc1nnc(-c2cnc(NC3Cc4ccc(C5CCOC5)cc4C3)nc2)o1)N1CCc2n[nH]nc2C1
InChIInChI=1S/C26H27N9O3/c36-24(35-5-3-21-22(13-35)31-34-30-21)10-23-32-33-25(38-23)19-11-27-26(28-12-19)29-20-8-16-2-1-15(7-18(16)9-20)17-4-6-37-14-17/h1-2,7,11-12,17,20H,3-6,8-10,13-14H2,(H,27,28,29)(H,30,31,34)
InChIKeyKXJOXWZYZIXUEN-UHFFFAOYSA-N
XLogP1.86
TPSA147.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[2-[[5-(oxolan-3-yl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[[5-(oxolan-3-yl)-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-(oxolan-3-yl)-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 167377265) is 2-[5-[2-[[5-(oxolan-3-yl)-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-(oxolan-3-yl)-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-(oxolan-3-yl)-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(C5CCOC5)cc4C3)nc2)o1)N1CCc2n[nH]nc2C1.
What is the InChIKey of 2-[5-[2-[[5-(oxolan-3-yl)-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 KXJOXWZYZIXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O3/c36-24(35-5-3-21-22(13-35)31-34-30-21)10-23-32-33-25(38-23)19-11-27-26(28-12-19)29-20-8-16-2-1-15(7-18(16)9-20)17-4-6-37-14-17/h1-2,7,11-12,17,20H,3-6,8-10,13-14H2,(H,27,28,29)(H,30,31,34).
What are the key properties of 2-[5-[2-[[5-(oxolan-3-yl)-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-(oxolan-3-yl)-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 513.56 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[[5-(oxolan-3-yl)-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 167377265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).