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

C18H16FN5O — CID 121455986

IUPAC6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)ncc1F
InChIInChI=1S/C18H16FN5O/c1-25-16-8-17(21-10-13(16)19)24-7-5-14-12(11-24)9-22-18(23-14)15-4-2-3-6-20-15/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyDEOARAHAYQHGJA-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.64
Rot. Bonds3

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

6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455986) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455986
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)ncc1F
InChIInChI=1S/C18H16FN5O/c1-25-16-8-17(21-10-13(16)19)24-7-5-14-12(11-24)9-22-18(23-14)15-4-2-3-6-20-15/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyDEOARAHAYQHGJA-UHFFFAOYSA-N
XLogP2.64
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455986) is 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)ncc1F.
What is the InChIKey of 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DEOARAHAYQHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-25-16-8-17(21-10-13(16)19)24-7-5-14-12(11-24)9-22-18(23-14)15-4-2-3-6-20-15/h2-4,6,8-10H,5,7,11H2,1H3.
What are the key properties of 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 337.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).