2-[5-[2-[[5-(oxetan-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

C25H25N9O3 — CID 167377200

IUPAC2-[5-[2-[[5-(oxetan-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(C5COC5)cc4C3)nc2)o1)N1CCc2n[nH]nc2C1
InChIInChI=1S/C25H25N9O3/c35-23(34-4-3-20-21(11-34)30-33-29-20)8-22-31-32-24(37-22)17-9-26-25(27-10-17)28-19-6-15-2-1-14(5-16(15)7-19)18-12-36-13-18/h1-2,5,9-10,18-19H,3-4,6-8,11-13H2,(H,26,27,28)(H,29,30,33)
InChIKeySZZWSUVHCNIUCZ-UHFFFAOYSA-N
MW499.54 g/mol
LogP1.47
Rot. Bonds6

About 2-[5-[2-[[5-(oxetan-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-(oxetan-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 167377200) has the molecular formula C25H25N9O3 and a molecular weight of 499.54 g/mol. Its IUPAC name is 2-[5-[2-[[5-(oxetan-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-(oxetan-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 CID167377200
Molecular FormulaC25H25N9O3
Molecular Weight499.54 g/mol
Exact Mass499.21
IUPAC Name2-[5-[2-[[5-(oxetan-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(C5COC5)cc4C3)nc2)o1)N1CCc2n[nH]nc2C1
InChIInChI=1S/C25H25N9O3/c35-23(34-4-3-20-21(11-34)30-33-29-20)8-22-31-32-24(37-22)17-9-26-25(27-10-17)28-19-6-15-2-1-14(5-16(15)7-19)18-12-36-13-18/h1-2,5,9-10,18-19H,3-4,6-8,11-13H2,(H,26,27,28)(H,29,30,33)
InChIKeySZZWSUVHCNIUCZ-UHFFFAOYSA-N
XLogP1.47
TPSA147.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[2-[[5-(oxetan-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-(oxetan-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-(oxetan-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 167377200) is 2-[5-[2-[[5-(oxetan-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-(oxetan-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-(oxetan-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(C5COC5)cc4C3)nc2)o1)N1CCc2n[nH]nc2C1.
What is the InChIKey of 2-[5-[2-[[5-(oxetan-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 SZZWSUVHCNIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O3/c35-23(34-4-3-20-21(11-34)30-33-29-20)8-22-31-32-24(37-22)17-9-26-25(27-10-17)28-19-6-15-2-1-14(5-16(15)7-19)18-12-36-13-18/h1-2,5,9-10,18-19H,3-4,6-8,11-13H2,(H,26,27,28)(H,29,30,33).
What are the key properties of 2-[5-[2-[[5-(oxetan-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-(oxetan-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 499.54 g/mol, XLogP of 1.47, 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-(oxetan-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 167377200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).