6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C28H30N6O3 — CID 127051548

IUPAC6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3C3CC3)c(=O)n(C[C@@H]3CNCCO3)c2n1
InChIInChI=1S/C28H30N6O3/c1-17-4-3-10-33(26(17)35)20-7-8-22(23(13-20)18-5-6-18)24-12-19-14-31-28(29-2)32-25(19)34(27(24)36)16-21-15-30-9-11-37-21/h3-4,7-8,10,12-14,18,21,30H,5-6,9,11,15-16H2,1-2H3,(H,29,31,32)/t21-/m0/s1
InChIKeyZTPYVALNBJUYHG-NRFANRHFSA-N
MW498.59 g/mol
LogP2.83
Rot. Bonds6

About 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127051548) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID127051548
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3C3CC3)c(=O)n(C[C@@H]3CNCCO3)c2n1
InChIInChI=1S/C28H30N6O3/c1-17-4-3-10-33(26(17)35)20-7-8-22(23(13-20)18-5-6-18)24-12-19-14-31-28(29-2)32-25(19)34(27(24)36)16-21-15-30-9-11-37-21/h3-4,7-8,10,12-14,18,21,30H,5-6,9,11,15-16H2,1-2H3,(H,29,31,32)/t21-/m0/s1
InChIKeyZTPYVALNBJUYHG-NRFANRHFSA-N
XLogP2.83
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 127051548) is 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3C3CC3)c(=O)n(C[C@@H]3CNCCO3)c2n1.
What is the InChIKey of 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZTPYVALNBJUYHG-NRFANRHFSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-17-4-3-10-33(26(17)35)20-7-8-22(23(13-20)18-5-6-18)24-12-19-14-31-28(29-2)32-25(19)34(27(24)36)16-21-15-30-9-11-37-21/h3-4,7-8,10,12-14,18,21,30H,5-6,9,11,15-16H2,1-2H3,(H,29,31,32)/t21-/m0/s1.
What are the key properties of 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 498.59 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127051548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).