4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C27H27FN6O — CID 50939213

IUPAC4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C27H27FN6O/c1-17-24(18-10-19(28)13-30-12-18)32-22-15-29-5-4-21(22)25(17)34-16-27(2,3)26-23(34)11-20(14-31-26)33-6-8-35-9-7-33/h4-5,10-15H,6-9,16H2,1-3H3
InChIKeyFRSSNWWXARFEQP-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.80
Rot. Bonds3

About 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 50939213) has the molecular formula C27H27FN6O and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID50939213
Molecular FormulaC27H27FN6O
Molecular Weight470.55 g/mol
Exact Mass470.22
IUPAC Name4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C27H27FN6O/c1-17-24(18-10-19(28)13-30-12-18)32-22-15-29-5-4-21(22)25(17)34-16-27(2,3)26-23(34)11-20(14-31-26)33-6-8-35-9-7-33/h4-5,10-15H,6-9,16H2,1-3H3
InChIKeyFRSSNWWXARFEQP-UHFFFAOYSA-N
XLogP4.80
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

1'-[7-Fluoro-3-Methyl-2-(Pyridin-2-Yl)quinolin-4-Yl]-6'-(Morpholin-4-Yl)-1',2,2',3,5,6-Hexahydrospiro[pyran-4,3'-Pyrrolo[3,2-B]pyridine]
CID 50939078
4-[3,3-Dimethyl-6-(Morpholin-4-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-7-Fluoro-3-Methyl-2-(Pyridin-3-Yl)quinoline
CID 50939209
1-[1-(2-Methoxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379663
4-[3-(4-fluorophenyl)-1-(1-methoxyethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 23647183
3-(4-Fluorophenyl)-1-hydroxyethyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 23647184
3-(4-Fluorophenyl)-1-morpholinoethyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 23647185
Quinoline, 4-(4-morpholinyl)-2-(2-pyridinyl)-
CID 453059
4-[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-13-yl]morpholine
CID 11454703
Sdccgrch-0000111.P001
CID 11825589
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 50939338
4-(3,3-Dimethyl-6-(4-pyridinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 50940108
1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
CID 67284515

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 50939213) is 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is FRSSNWWXARFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O/c1-17-24(18-10-19(28)13-30-12-18)32-22-15-29-5-4-21(22)25(17)34-16-27(2,3)26-23(34)11-20(14-31-26)33-6-8-35-9-7-33/h4-5,10-15H,6-9,16H2,1-3H3.
What are the key properties of 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 470.55 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 50939213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).