4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C56H59ClN10O2 — CID 157383420

IUPAC4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(-c2ccccc2)nc2ncccc2c1Cl.Cc1c(-c2ccccc2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C28H29N5O.C15H11ClN2.C13H19N3O/c1-19-24(20-8-5-4-6-9-20)31-27-22(10-7-11-29-27)25(19)33-18-28(2,3)26-23(33)16-21(17-30-26)32-12-14-34-15-13-32;1-10-13(16)12-8-5-9-17-15(12)18-14(10)11-6-3-2-4-7-11;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-11,16-17H,12-15,18H2,1-3H3;2-9H,1H3;7-8,15H,3-6,9H2,1-2H3
InChIKeyBLDOOTLVWLZRRP-UHFFFAOYSA-N
MW939.61 g/mol
LogP11.15
Rot. Bonds5

About 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 157383420) has the molecular formula C56H59ClN10O2 and a molecular weight of 939.61 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID157383420
Molecular FormulaC56H59ClN10O2
Molecular Weight939.61 g/mol
Exact Mass938.45
IUPAC Name4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(-c2ccccc2)nc2ncccc2c1Cl.Cc1c(-c2ccccc2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C28H29N5O.C15H11ClN2.C13H19N3O/c1-19-24(20-8-5-4-6-9-20)31-27-22(10-7-11-29-27)25(19)33-18-28(2,3)26-23(33)16-21(17-30-26)32-12-14-34-15-13-32;1-10-13(16)12-8-5-9-17-15(12)18-14(10)11-6-3-2-4-7-11;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-11,16-17H,12-15,18H2,1-3H3;2-9H,1H3;7-8,15H,3-6,9H2,1-2H3
InChIKeyBLDOOTLVWLZRRP-UHFFFAOYSA-N
XLogP11.15
TPSA117.55 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500939.61
LogP ≤ 511.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine with MolForge

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Related Compounds

5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
CID 10253331
5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-(4-morpholinyl)-4-pyrimidinyl]-3-quinolinamine
CID 59507663
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728565
2-N-(3-chloro-4-fluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494015
5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
CID 10253975
4-[[13-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]methyl]morpholine
CID 11226516
5-(3-Chloro-phenyl)-6-(4-dimethylamino-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11249663
[2-(1H-Indol-3-yl)-ethyl]-[7-(6-morpholin-4-yl-pyridin-3-yl)-pteridin-4-yl]-amine
CID 44393112
N-[6-[2-(methylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 53317513
(R)-N-(1-Morpholinopropan-2-yl)-6-(8-(pyridin-4-yl)-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 132587462
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 134146432

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 157383420) is 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is CC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(-c2ccccc2)nc2ncccc2c1Cl.Cc1c(-c2ccccc2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is BLDOOTLVWLZRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O.C15H11ClN2.C13H19N3O/c1-19-24(20-8-5-4-6-9-20)31-27-22(10-7-11-29-27)25(19)33-18-28(2,3)26-23(33)16-21(17-30-26)32-12-14-34-15-13-32;1-10-13(16)12-8-5-9-17-15(12)18-14(10)11-6-3-2-4-7-11;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-11,16-17H,12-15,18H2,1-3H3;2-9H,1H3;7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 939.61 g/mol, XLogP of 11.15, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 157383420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).