3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

C69H80ClN17O8 — CID 158348372

IUPAC3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(Cl)cc3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(N)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc([N+](=O)[O-])c3)nc2n1
InChIInChI=1S/C23H26ClN5O2.C23H26N6O4.C23H28N6O2/c1-15-13-30-11-9-28(15)22-19-7-8-20(17-3-5-18(24)6-4-17)25-21(19)26-23(27-22)29-10-12-31-14-16(29)2;1-15-13-32-10-8-27(15)22-19-6-7-20(17-4-3-5-18(12-17)29(30)31)24-21(19)25-23(26-22)28-9-11-33-14-16(28)2;1-15-13-30-10-8-28(15)22-19-6-7-20(17-4-3-5-18(24)12-17)25-21(19)26-23(27-22)29-9-11-31-14-16(29)2/h3-8,15-16H,9-14H2,1-2H3;3-7,12,15-16H,8-11,13-14H2,1-2H3;3-7,12,15-16H,8-11,13-14,24H2,1-2H3/t3*15-,16-/m000/s1
InChIKeyGRZZUOMYNTWYIR-PWVZLDNWSA-N
MW1310.96 g/mol
LogP9.57
Rot. Bonds10

About 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 158348372) has the molecular formula C69H80ClN17O8 and a molecular weight of 1310.96 g/mol. Its IUPAC name is 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID158348372
Molecular FormulaC69H80ClN17O8
Molecular Weight1310.96 g/mol
Exact Mass1309.61
IUPAC Name3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(Cl)cc3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(N)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc([N+](=O)[O-])c3)nc2n1
InChIInChI=1S/C23H26ClN5O2.C23H26N6O4.C23H28N6O2/c1-15-13-30-11-9-28(15)22-19-7-8-20(17-3-5-18(24)6-4-17)25-21(19)26-23(27-22)29-10-12-31-14-16(29)2;1-15-13-32-10-8-27(15)22-19-6-7-20(17-4-3-5-18(12-17)29(30)31)24-21(19)25-23(26-22)28-9-11-33-14-16(28)2;1-15-13-30-10-8-28(15)22-19-6-7-20(17-4-3-5-18(24)12-17)25-21(19)26-23(27-22)29-9-11-31-14-16(29)2/h3-8,15-16H,9-14H2,1-2H3;3-7,12,15-16H,8-11,13-14H2,1-2H3;3-7,12,15-16H,8-11,13-14,24H2,1-2H3/t3*15-,16-/m000/s1
InChIKeyGRZZUOMYNTWYIR-PWVZLDNWSA-N
XLogP9.57
TPSA259.99 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001310.96
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

(3S)-4-[7-(4-chlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 25000730
(3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 25000731
(2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 25000732
(3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 25000733
1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 25000734
3-[2,4-Bis-((S)-3-methyl-morpholin-4-yl)-pyrido[2,3-d]pyrimidin-7-yl]-phenylamine
CID 25262625
(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441884
(3S)-4-[7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441926
(3S)-4-[7-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57442022
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
CID 58279483
(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 59703379
3-[2,4-Bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]aniline
CID 44200304

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (CID 158348372) is 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(Cl)cc3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(N)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc([N+](=O)[O-])c3)nc2n1.
What is the InChIKey of 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is GRZZUOMYNTWYIR-PWVZLDNWSA-N. The full InChI is InChI=1S/C23H26ClN5O2.C23H26N6O4.C23H28N6O2/c1-15-13-30-11-9-28(15)22-19-7-8-20(17-3-5-18(24)6-4-17)25-21(19)26-23(27-22)29-10-12-31-14-16(29)2;1-15-13-32-10-8-27(15)22-19-6-7-20(17-4-3-5-18(12-17)29(30)31)24-21(19)25-23(26-22)28-9-11-33-14-16(28)2;1-15-13-30-10-8-28(15)22-19-6-7-20(17-4-3-5-18(24)12-17)25-21(19)26-23(27-22)29-9-11-31-14-16(29)2/h3-8,15-16H,9-14H2,1-2H3;3-7,12,15-16H,8-11,13-14H2,1-2H3;3-7,12,15-16H,8-11,13-14,24H2,1-2H3/t3*15-,16-/m000/s1.
What are the key properties of 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 1310.96 g/mol, XLogP of 9.57, 10 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]aniline;(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158348372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).