4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C27H27FN6O — CID 67284884

IUPAC4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(-c2cncc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C27H27FN6O/c1-17-23(18-11-19(28)14-29-13-18)32-26-21(5-4-6-30-26)24(17)34-16-27(2,3)25-22(34)12-20(15-31-25)33-7-9-35-10-8-33/h4-6,11-15H,7-10,16H2,1-3H3
InChIKeyOFVRREZLTGDWSS-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.80
Rot. Bonds3

About 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 67284884) 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-1,8-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-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID67284884
Molecular FormulaC27H27FN6O
Molecular Weight470.55 g/mol
Exact Mass470.22
IUPAC Name4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(-c2cncc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C27H27FN6O/c1-17-23(18-11-19(28)14-29-13-18)32-26-21(5-4-6-30-26)24(17)34-16-27(2,3)25-22(34)12-20(15-31-25)33-7-9-35-10-8-33/h4-6,11-15H,7-10,16H2,1-3H3
InChIKeyOFVRREZLTGDWSS-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(5-fluoro-3-pyridinyl)-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-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 67284884) is 4-[1-[2-(5-fluoro-3-pyridinyl)-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-(5-fluoro-3-pyridinyl)-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-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is Cc1c(-c2cncc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is OFVRREZLTGDWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O/c1-17-23(18-11-19(28)14-29-13-18)32-26-21(5-4-6-30-26)24(17)34-16-27(2,3)25-22(34)12-20(15-31-25)33-7-9-35-10-8-33/h4-6,11-15H,7-10,16H2,1-3H3.
What are the key properties of 4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,8-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-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 67284884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).