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

C26H27ClN6O3 — CID 127052177

IUPAC6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cccn(-c2ccc(-c3cc4cnc(NC)nc4n(C[C@H]4CNCCO4)c3=O)c(Cl)c2)c1=O
InChIInChI=1S/C26H27ClN6O3/c1-3-16-5-4-9-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-30-26(28-2)31-23(17)33(25(21)35)15-19-14-29-8-10-36-19/h4-7,9,11-13,19,29H,3,8,10,14-15H2,1-2H3,(H,28,30,31)/t19-/m1/s1
InChIKeyQGBBLDRMFCNXMM-LJQANCHMSA-N
MW506.99 g/mol
LogP2.86
Rot. Bonds6

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

6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127052177) has the molecular formula C26H27ClN6O3 and a molecular weight of 506.99 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID127052177
Molecular FormulaC26H27ClN6O3
Molecular Weight506.99 g/mol
Exact Mass506.18
IUPAC Name6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cccn(-c2ccc(-c3cc4cnc(NC)nc4n(C[C@H]4CNCCO4)c3=O)c(Cl)c2)c1=O
InChIInChI=1S/C26H27ClN6O3/c1-3-16-5-4-9-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-30-26(28-2)31-23(17)33(25(21)35)15-19-14-29-8-10-36-19/h4-7,9,11-13,19,29H,3,8,10,14-15H2,1-2H3,(H,28,30,31)/t19-/m1/s1
InChIKeyQGBBLDRMFCNXMM-LJQANCHMSA-N
XLogP2.86
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.99
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-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-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 127052177) is 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is CCc1cccn(-c2ccc(-c3cc4cnc(NC)nc4n(C[C@H]4CNCCO4)c3=O)c(Cl)c2)c1=O.
What is the InChIKey of 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QGBBLDRMFCNXMM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27ClN6O3/c1-3-16-5-4-9-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-30-26(28-2)31-23(17)33(25(21)35)15-19-14-29-8-10-36-19/h4-7,9,11-13,19,29H,3,8,10,14-15H2,1-2H3,(H,28,30,31)/t19-/m1/s1.
What are the key properties of 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 506.99 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(3-ethyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127052177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).