2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one

C18H19FN6O2 — CID 59259014

IUPAC2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(N3CCCC3)c2=O)cc1F
InChIInChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)
InChIKeyYJFBSFMYXTWDGD-UHFFFAOYSA-N
MW370.39 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59259014) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59259014
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(N3CCCC3)c2=O)cc1F
InChIInChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)
InChIKeyYJFBSFMYXTWDGD-UHFFFAOYSA-N
XLogP1.62
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one (CID 59259014) is 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one is COc1ncc(-c2cc3c(C)nc(N)nc3n(N3CCCC3)c2=O)cc1F.
What is the InChIKey of 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YJFBSFMYXTWDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 370.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59259014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).