2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C20H22FN5O3 — CID 59258932

IUPAC2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC3(F)CCOCC3)c2=O)cn1
InChIInChI=1S/C20H22FN5O3/c1-12-14-9-15(13-3-4-16(28-2)23-10-13)18(27)26(17(14)25-19(22)24-12)11-20(21)5-7-29-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3,(H2,22,24,25)
InChIKeyMFBJHDCFUUVEIB-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258932) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258932
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC3(F)CCOCC3)c2=O)cn1
InChIInChI=1S/C20H22FN5O3/c1-12-14-9-15(13-3-4-16(28-2)23-10-13)18(27)26(17(14)25-19(22)24-12)11-20(21)5-7-29-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3,(H2,22,24,25)
InChIKeyMFBJHDCFUUVEIB-UHFFFAOYSA-N
XLogP2.27
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258932) is 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(CC3(F)CCOCC3)c2=O)cn1.
What is the InChIKey of 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MFBJHDCFUUVEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-12-14-9-15(13-3-4-16(28-2)23-10-13)18(27)26(17(14)25-19(22)24-12)11-20(21)5-7-29-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3,(H2,22,24,25).
What are the key properties of 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 399.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).