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

C22H26N6O2 — CID 57441886

IUPAC(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccnc3)nc2n1
InChIInChI=1S/C22H26N6O2/c1-15-13-29-10-8-27(15)21-18-5-6-19(17-4-3-7-23-12-17)24-20(18)25-22(26-21)28-9-11-30-14-16(28)2/h3-7,12,15-16H,8-11,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyLMMBRLXNJOPUTK-HOTGVXAUSA-N
MW406.49 g/mol
LogP2.54
Rot. Bonds3

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

(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 57441886) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID57441886
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccnc3)nc2n1
InChIInChI=1S/C22H26N6O2/c1-15-13-29-10-8-27(15)21-18-5-6-19(17-4-3-7-23-12-17)24-20(18)25-22(26-21)28-9-11-30-14-16(28)2/h3-7,12,15-16H,8-11,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyLMMBRLXNJOPUTK-HOTGVXAUSA-N
XLogP2.54
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine (CID 57441886) is (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccnc3)nc2n1.
What is the InChIKey of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is LMMBRLXNJOPUTK-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-13-29-10-8-27(15)21-18-5-6-19(17-4-3-7-23-12-17)24-20(18)25-22(26-21)28-9-11-30-14-16(28)2/h3-7,12,15-16H,8-11,13-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine?
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 406.49 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 57441886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).