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

C19H21FN6O2 — CID 136680885

IUPAC3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nc2c(nnn2C2CCN(C(=O)c3ccc(F)cc3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H21FN6O2/c1-2-3-15-21-17-16(18(27)22-15)23-24-26(17)14-8-10-25(11-9-14)19(28)12-4-6-13(20)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,21,22,27)
InChIKeyYFYUXWCLNXZAHJ-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.08
Rot. Bonds4

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

3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 136680885) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID136680885
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nc2c(nnn2C2CCN(C(=O)c3ccc(F)cc3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H21FN6O2/c1-2-3-15-21-17-16(18(27)22-15)23-24-26(17)14-8-10-25(11-9-14)19(28)12-4-6-13(20)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,21,22,27)
InChIKeyYFYUXWCLNXZAHJ-UHFFFAOYSA-N
XLogP2.08
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-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

Related Compounds

5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136680868
5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135584626
3-[(4-tert-butylphenyl)methyl]-5-[1-(4-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135417805
5-(1-benzoylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135450414
5-methyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135963554
5-ethyl-3-[(3R)-1-[1-(4-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136819832
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136680842
5-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-3-[(4-fluorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135477727
3-benzyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135470113
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 87786267
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one (CID 136680885) is 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one is CCCc1nc2c(nnn2C2CCN(C(=O)c3ccc(F)cc3)CC2)c(=O)[nH]1.
What is the InChIKey of 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is YFYUXWCLNXZAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-2-3-15-21-17-16(18(27)22-15)23-24-26(17)14-8-10-25(11-9-14)19(28)12-4-6-13(20)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,21,22,27).
What are the key properties of 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one?
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 384.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 136680885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).