4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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

C41H36ClF2N9O — CID 67516827

IUPAC4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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
SMILESCc1c(-c2cncc(F)c2)nc2cnccc2c1Cl.Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C27H27FN6O.C14H9ClFN3/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;1-8-13(15)11-2-3-17-7-12(11)19-14(8)9-4-10(16)6-18-5-9/h4-5,10-15H,6-9,16H2,1-3H3;2-7H,1H3
InChIKeySRTMTTJVSXFMAH-UHFFFAOYSA-N
MW744.25 g/mol
LogP8.59
Rot. Bonds4

About 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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 67516827) has the molecular formula C41H36ClF2N9O and a molecular weight of 744.25 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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 CID67516827
Molecular FormulaC41H36ClF2N9O
Molecular Weight744.25 g/mol
Exact Mass743.27
IUPAC Name4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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
SMILESCc1c(-c2cncc(F)c2)nc2cnccc2c1Cl.Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C27H27FN6O.C14H9ClFN3/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;1-8-13(15)11-2-3-17-7-12(11)19-14(8)9-4-10(16)6-18-5-9/h4-5,10-15H,6-9,16H2,1-3H3;2-7H,1H3
InChIKeySRTMTTJVSXFMAH-UHFFFAOYSA-N
XLogP8.59
TPSA105.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.25
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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 67516827) is 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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)nc2cnccc2c1Cl.Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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 SRTMTTJVSXFMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O.C14H9ClFN3/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;1-8-13(15)11-2-3-17-7-12(11)19-14(8)9-4-10(16)6-18-5-9/h4-5,10-15H,6-9,16H2,1-3H3;2-7H,1H3.
What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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 744.25 g/mol, XLogP of 8.59, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;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 67516827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).