[(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C28H30N6O3 — CID 166245205

IUPAC[(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCCCc1noc2nc(-c3cccnc3)cc(C(=O)N3Cc4cccnc4N4C[C@H](OCC)C[C@@H]4C3)c12
InChIInChI=1S/C28H30N6O3/c1-3-7-23-25-22(13-24(31-27(25)37-32-23)18-8-5-10-29-14-18)28(35)33-15-19-9-6-11-30-26(19)34-17-21(36-4-2)12-20(34)16-33/h5-6,8-11,13-14,20-21H,3-4,7,12,15-17H2,1-2H3/t20-,21-/m1/s1
InChIKeyFDQKPIARRASBHC-NHCUHLMSSA-N
MW498.59 g/mol
LogP4.27
Rot. Bonds6

About [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

[(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 166245205) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID166245205
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name[(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCCCc1noc2nc(-c3cccnc3)cc(C(=O)N3Cc4cccnc4N4C[C@H](OCC)C[C@@H]4C3)c12
InChIInChI=1S/C28H30N6O3/c1-3-7-23-25-22(13-24(31-27(25)37-32-23)18-8-5-10-29-14-18)28(35)33-15-19-9-6-11-30-26(19)34-17-21(36-4-2)12-20(34)16-33/h5-6,8-11,13-14,20-21H,3-4,7,12,15-17H2,1-2H3/t20-,21-/m1/s1
InChIKeyFDQKPIARRASBHC-NHCUHLMSSA-N
XLogP4.27
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 166245205) is [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is CCCc1noc2nc(-c3cccnc3)cc(C(=O)N3Cc4cccnc4N4C[C@H](OCC)C[C@@H]4C3)c12.
What is the InChIKey of [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is FDQKPIARRASBHC-NHCUHLMSSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-3-7-23-25-22(13-24(31-27(25)37-32-23)18-8-5-10-29-14-18)28(35)33-15-19-9-6-11-30-26(19)34-17-21(36-4-2)12-20(34)16-33/h5-6,8-11,13-14,20-21H,3-4,7,12,15-17H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
[(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 498.59 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]-(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 166245205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).