1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

C16H17F3N6O — CID 166259721

IUPAC1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESNc1ncc2c(n1)CN(C(=O)Cn1nc(C(F)(F)F)c3c1CCC3)CC2
InChIInChI=1S/C16H17F3N6O/c17-16(18,19)14-10-2-1-3-12(10)25(23-14)8-13(26)24-5-4-9-6-21-15(20)22-11(9)7-24/h6H,1-5,7-8H2,(H2,20,21,22)
InChIKeyVVPMNVOTKXXMAZ-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.35
Rot. Bonds2

About 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (PubChem CID 166259721) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
PubChem CID166259721
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC Name1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESNc1ncc2c(n1)CN(C(=O)Cn1nc(C(F)(F)F)c3c1CCC3)CC2
InChIInChI=1S/C16H17F3N6O/c17-16(18,19)14-10-2-1-3-12(10)25(23-14)8-13(26)24-5-4-9-6-21-15(20)22-11(9)7-24/h6H,1-5,7-8H2,(H2,20,21,22)
InChIKeyVVPMNVOTKXXMAZ-UHFFFAOYSA-N
XLogP1.35
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone 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 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The IUPAC name of 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (CID 166259721) is 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is Nc1ncc2c(n1)CN(C(=O)Cn1nc(C(F)(F)F)c3c1CCC3)CC2.
What is the InChIKey of 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The InChIKey is VVPMNVOTKXXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c17-16(18,19)14-10-2-1-3-12(10)25(23-14)8-13(26)24-5-4-9-6-21-15(20)22-11(9)7-24/h6H,1-5,7-8H2,(H2,20,21,22).
What are the key properties of 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone has a molecular weight of 366.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is sourced from PubChem (CID 166259721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).