5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one

C19H19FN6O2 — CID 136680868

IUPAC5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESO=C(c1cccc(F)c1)N1CCC(n2nnc3c(=O)[nH]c(C4CC4)nc32)CC1
InChIInChI=1S/C19H19FN6O2/c20-13-3-1-2-12(10-13)19(28)25-8-6-14(7-9-25)26-17-15(23-24-26)18(27)22-16(21-17)11-4-5-11/h1-3,10-11,14H,4-9H2,(H,21,22,27)
InChIKeyQIJYQPCRKNXADY-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.01
Rot. Bonds3

About 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one

5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 136680868) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID136680868
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESO=C(c1cccc(F)c1)N1CCC(n2nnc3c(=O)[nH]c(C4CC4)nc32)CC1
InChIInChI=1S/C19H19FN6O2/c20-13-3-1-2-12(10-13)19(28)25-8-6-14(7-9-25)26-17-15(23-24-26)18(27)22-16(21-17)11-4-5-11/h1-3,10-11,14H,4-9H2,(H,21,22,27)
InChIKeyQIJYQPCRKNXADY-UHFFFAOYSA-N
XLogP2.01
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one (CID 136680868) is 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one is O=C(c1cccc(F)c1)N1CCC(n2nnc3c(=O)[nH]c(C4CC4)nc32)CC1.
What is the InChIKey of 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QIJYQPCRKNXADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-13-3-1-2-12(10-13)19(28)25-8-6-14(7-9-25)26-17-15(23-24-26)18(27)22-16(21-17)11-4-5-11/h1-3,10-11,14H,4-9H2,(H,21,22,27).
What are the key properties of 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?
5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 382.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 136680868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).