4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C28H28FN5O — CID 67285744

IUPAC4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(-c2cccc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C28H28FN5O/c1-18-24(19-6-4-7-20(29)14-19)32-27-22(8-5-9-30-27)25(18)34-17-28(2,3)26-23(34)15-21(16-31-26)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3
InChIKeyFJGUMRHKBZUAKG-UHFFFAOYSA-N
MW469.56 g/mol
LogP5.41
Rot. Bonds3

About 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 67285744) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID67285744
Molecular FormulaC28H28FN5O
Molecular Weight469.56 g/mol
Exact Mass469.23
IUPAC Name4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(-c2cccc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C28H28FN5O/c1-18-24(19-6-4-7-20(29)14-19)32-27-22(8-5-9-30-27)25(18)34-17-28(2,3)26-23(34)15-21(16-31-26)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3
InChIKeyFJGUMRHKBZUAKG-UHFFFAOYSA-N
XLogP5.41
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 67285744) is 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is Cc1c(-c2cccc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is FJGUMRHKBZUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O/c1-18-24(19-6-4-7-20(29)14-19)32-27-22(8-5-9-30-27)25(18)34-17-28(2,3)26-23(34)15-21(16-31-26)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3.
What are the key properties of 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 469.56 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-fluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 67285744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).