methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine

C63H83N15O11 — CID 143633423

IUPACmethane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine
SMILESC.CNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)ccc1OC.COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)cc1C(=O)O.C[C@H]1COCCN1C1=NC(N2CCOCC2)=NCC1
InChIInChI=1S/C25H30N6O4.C24H27N5O5.C13H22N4O2.CH4/c1-16-15-35-13-10-31(16)23-18-5-6-20(17-4-7-21(33-3)19(14-17)24(32)26-2)27-22(18)28-25(29-23)30-8-11-34-12-9-30;1-15-14-34-12-9-29(15)22-17-4-5-19(16-3-6-20(32-2)18(13-16)23(30)31)25-21(17)26-24(27-22)28-7-10-33-11-8-28;1-11-10-19-9-6-17(11)12-2-3-14-13(15-12)16-4-7-18-8-5-16;/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,32);3-6,13,15H,7-12,14H2,1-2H3,(H,30,31);11H,2-10H2,1H3;1H4/t16-;15-;11-;/m000./s1
InChIKeyRYBNQMPWEBUJCP-PDSCILQWSA-N
MW1226.45 g/mol
LogP5.42
Rot. Bonds10

About methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine

methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine (PubChem CID 143633423) has the molecular formula C63H83N15O11 and a molecular weight of 1226.45 g/mol. Its IUPAC name is methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine.

Molecular Properties

Compound Namemethane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine
PubChem CID143633423
Molecular FormulaC63H83N15O11
Molecular Weight1226.45 g/mol
Exact Mass1225.64
IUPAC Namemethane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine
SMILESC.CNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)ccc1OC.COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)cc1C(=O)O.C[C@H]1COCCN1C1=NC(N2CCOCC2)=NCC1
InChIInChI=1S/C25H30N6O4.C24H27N5O5.C13H22N4O2.CH4/c1-16-15-35-13-10-31(16)23-18-5-6-20(17-4-7-21(33-3)19(14-17)24(32)26-2)27-22(18)28-25(29-23)30-8-11-34-12-9-30;1-15-14-34-12-9-29(15)22-17-4-5-19(16-3-6-20(32-2)18(13-16)23(30)31)25-21(17)26-24(27-22)28-7-10-33-11-8-28;1-11-10-19-9-6-17(11)12-2-3-14-13(15-12)16-4-7-18-8-5-16;/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,32);3-6,13,15H,7-12,14H2,1-2H3,(H,30,31);11H,2-10H2,1H3;1H4/t16-;15-;11-;/m000./s1
InChIKeyRYBNQMPWEBUJCP-PDSCILQWSA-N
XLogP5.42
TPSA261.74 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine?
The IUPAC name of methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine (CID 143633423) is methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine.
What is the SMILES notation for methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine?
The canonical SMILES for methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine is C.CNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)ccc1OC.COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)cc1C(=O)O.C[C@H]1COCCN1C1=NC(N2CCOCC2)=NCC1.
What is the InChIKey of methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine?
The InChIKey is RYBNQMPWEBUJCP-PDSCILQWSA-N. The full InChI is InChI=1S/C25H30N6O4.C24H27N5O5.C13H22N4O2.CH4/c1-16-15-35-13-10-31(16)23-18-5-6-20(17-4-7-21(33-3)19(14-17)24(32)26-2)27-22(18)28-25(29-23)30-8-11-34-12-9-30;1-15-14-34-12-9-29(15)22-17-4-5-19(16-3-6-20(32-2)18(13-16)23(30)31)25-21(17)26-24(27-22)28-7-10-33-11-8-28;1-11-10-19-9-6-17(11)12-2-3-14-13(15-12)16-4-7-18-8-5-16;/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,32);3-6,13,15H,7-12,14H2,1-2H3,(H,30,31);11H,2-10H2,1H3;1H4/t16-;15-;11-;/m000./s1.
What are the key properties of methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine?
methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine has a molecular weight of 1226.45 g/mol, XLogP of 5.42, 10 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid;(3S)-3-methyl-4-(2-morpholin-4-yl-4,5-dihydropyrimidin-6-yl)morpholine is sourced from PubChem (CID 143633423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).