6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H20F3N5O — CID 135944342

IUPAC6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCn1ncc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)c1C
InChIInChI=1S/C16H20F3N5O/c1-3-5-24-10(2)11(7-20-24)8-23-6-4-13-12(9-23)14(25)22-15(21-13)16(17,18)19/h7H,3-6,8-9H2,1-2H3,(H,21,22,25)
InChIKeyCYYOIKVYAZAOIT-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.26
Rot. Bonds4

About 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944342) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944342
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCn1ncc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)c1C
InChIInChI=1S/C16H20F3N5O/c1-3-5-24-10(2)11(7-20-24)8-23-6-4-13-12(9-23)14(25)22-15(21-13)16(17,18)19/h7H,3-6,8-9H2,1-2H3,(H,21,22,25)
InChIKeyCYYOIKVYAZAOIT-UHFFFAOYSA-N
XLogP2.26
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944342) is 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCn1ncc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)c1C.
What is the InChIKey of 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CYYOIKVYAZAOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-3-5-24-10(2)11(7-20-24)8-23-6-4-13-12(9-23)14(25)22-15(21-13)16(17,18)19/h7H,3-6,8-9H2,1-2H3,(H,21,22,25).
What are the key properties of 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 355.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).