(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine

C23H28N6O2 — CID 57441893

IUPAC(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccncc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C23H28N6O2/c1-15-14-30-11-10-29(15)22-19-4-5-20(18-6-8-24-9-7-18)25-21(19)26-23(27-22)28-12-16(2)31-17(3)13-28/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeyMHWLRDRALGURGZ-YESZJQIVSA-N
MW420.52 g/mol
LogP2.93
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine

(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 57441893) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID57441893
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccncc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C23H28N6O2/c1-15-14-30-11-10-29(15)22-19-4-5-20(18-6-8-24-9-7-18)25-21(19)26-23(27-22)28-12-16(2)31-17(3)13-28/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeyMHWLRDRALGURGZ-YESZJQIVSA-N
XLogP2.93
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 57441893) is (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine is C[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccncc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is MHWLRDRALGURGZ-YESZJQIVSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-14-30-11-10-29(15)22-19-4-5-20(18-6-8-24-9-7-18)25-21(19)26-23(27-22)28-12-16(2)31-17(3)13-28/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 420.52 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 57441893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).