2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H17F4N3O — CID 135916576

IUPAC2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CN(Cc1c(F)c(F)cc(F)c1F)CC2
InChIInChI=1S/C17H17F4N3O/c1-2-3-14-22-13-4-5-24(7-9(13)17(25)23-14)8-10-15(20)11(18)6-12(19)16(10)21/h6H,2-5,7-8H2,1H3,(H,22,23,25)
InChIKeyYPLMCBXHVFEBRQ-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.84
Rot. Bonds4

About 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135916576) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135916576
Molecular FormulaC17H17F4N3O
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC Name2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CN(Cc1c(F)c(F)cc(F)c1F)CC2
InChIInChI=1S/C17H17F4N3O/c1-2-3-14-22-13-4-5-24(7-9(13)17(25)23-14)8-10-15(20)11(18)6-12(19)16(10)21/h6H,2-5,7-8H2,1H3,(H,22,23,25)
InChIKeyYPLMCBXHVFEBRQ-UHFFFAOYSA-N
XLogP2.84
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-[(2-fluoro-4-methoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917816
6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947168
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944628
6-[(2,4-dihydroxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916976
7-[(3-chloro-2,6-difluorophenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865291
6-[(2,5-diethoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917116
6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861323
6-[(4,6-dichloro-2-oxochromen-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944208
6-[(5-ethylfuran-2-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861580
6-(1H-imidazol-5-ylmethyl)-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862580
6-[(1-methylpyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942510
2-propyl-6-(1,3-thiazol-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943688

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135916576) is 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CN(Cc1c(F)c(F)cc(F)c1F)CC2.
What is the InChIKey of 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YPLMCBXHVFEBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O/c1-2-3-14-22-13-4-5-24(7-9(13)17(25)23-14)8-10-15(20)11(18)6-12(19)16(10)21/h6H,2-5,7-8H2,1H3,(H,22,23,25).
What are the key properties of 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 355.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135916576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).