4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide

C17H19FN4O3S — CID 69480777

IUPAC4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide
SMILESCCCS(=O)(=O)N1C=C2CN=C(NC(=O)c3ccc(F)cc3)N=C2CC1
InChIInChI=1S/C17H19FN4O3S/c1-2-9-26(24,25)22-8-7-15-13(11-22)10-19-17(20-15)21-16(23)12-3-5-14(18)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,19,21,23)
InChIKeyKALJPQGIOQJXSC-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.70
Rot. Bonds4

About 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide

4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide (PubChem CID 69480777) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide
PubChem CID69480777
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide
SMILESCCCS(=O)(=O)N1C=C2CN=C(NC(=O)c3ccc(F)cc3)N=C2CC1
InChIInChI=1S/C17H19FN4O3S/c1-2-9-26(24,25)22-8-7-15-13(11-22)10-19-17(20-15)21-16(23)12-3-5-14(18)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,19,21,23)
InChIKeyKALJPQGIOQJXSC-UHFFFAOYSA-N
XLogP1.70
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 69480774
CID 69480774
CID 69480783
CID 69480783
CID 69480785
CID 69480785
CID 69480790
CID 69480790
CID 69480805
CID 69480805
CID 69480811
CID 69480811
CID 69480947
CID 69480947
CID 69480949
CID 69480949
CID 69482332
CID 69482332
CID 69482504
CID 69482504
CID 69482606
CID 69482606
CID 69482607
CID 69482607

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide (CID 69480777) is 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide is CCCS(=O)(=O)N1C=C2CN=C(NC(=O)c3ccc(F)cc3)N=C2CC1.
What is the InChIKey of 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide?
The InChIKey is KALJPQGIOQJXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-2-9-26(24,25)22-8-7-15-13(11-22)10-19-17(20-15)21-16(23)12-3-5-14(18)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,19,21,23).
What are the key properties of 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide?
4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 69480777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).