6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H17FN4OS — CID 24913777

IUPAC6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncc(CN2CCc3nc(-c4cccs4)ncc3C2)cc1F
InChIInChI=1S/C18H17FN4OS/c1-24-18-14(19)7-12(8-21-18)10-23-5-4-15-13(11-23)9-20-17(22-15)16-3-2-6-25-16/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyIMRVNPQCOHOQHI-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.31
Rot. Bonds4

About 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913777) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24913777
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncc(CN2CCc3nc(-c4cccs4)ncc3C2)cc1F
InChIInChI=1S/C18H17FN4OS/c1-24-18-14(19)7-12(8-21-18)10-23-5-4-15-13(11-23)9-20-17(22-15)16-3-2-6-25-16/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyIMRVNPQCOHOQHI-UHFFFAOYSA-N
XLogP3.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913777) is 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ncc(CN2CCc3nc(-c4cccs4)ncc3C2)cc1F.
What is the InChIKey of 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IMRVNPQCOHOQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-24-18-14(19)7-12(8-21-18)10-23-5-4-15-13(11-23)9-20-17(22-15)16-3-2-6-25-16/h2-3,6-9H,4-5,10-11H2,1H3.
What are the key properties of 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 356.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).