2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one

C22H28FN5O4 — CID 163934681

IUPAC2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1=C(F)CC(c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)C=N1
InChIInChI=1S/C22H28FN5O4/c1-12-16-10-17(13-9-18(23)20(31-2)25-11-13)21(30)28(19(16)27-22(24)26-12)14-3-5-15(6-4-14)32-8-7-29/h10-11,13-15,29H,3-9H2,1-2H3,(H2,24,26,27)
InChIKeyRLRKNOPJOCAYRM-UHFFFAOYSA-N
MW445.50 g/mol
LogP2.52
Rot. Bonds6

About 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 163934681) has the molecular formula C22H28FN5O4 and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID163934681
Molecular FormulaC22H28FN5O4
Molecular Weight445.50 g/mol
Exact Mass445.21
IUPAC Name2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1=C(F)CC(c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)C=N1
InChIInChI=1S/C22H28FN5O4/c1-12-16-10-17(13-9-18(23)20(31-2)25-11-13)21(30)28(19(16)27-22(24)26-12)14-3-5-15(6-4-14)32-8-7-29/h10-11,13-15,29H,3-9H2,1-2H3,(H2,24,26,27)
InChIKeyRLRKNOPJOCAYRM-UHFFFAOYSA-N
XLogP2.52
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 163934681) is 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is COC1=C(F)CC(c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)C=N1.
What is the InChIKey of 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RLRKNOPJOCAYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O4/c1-12-16-10-17(13-9-18(23)20(31-2)25-11-13)21(30)28(19(16)27-22(24)26-12)14-3-5-15(6-4-14)32-8-7-29/h10-11,13-15,29H,3-9H2,1-2H3,(H2,24,26,27).
What are the key properties of 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 445.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-fluoro-6-methoxy-3,4-dihydropyridin-3-yl)-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163934681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).