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

C28H30N6O — CID 50939214

IUPAC4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1ccnc(-c2nc3cnccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1
InChIInChI=1S/C28H30N6O/c1-18-5-8-30-22(13-18)25-19(2)26(21-6-7-29-16-23(21)32-25)34-17-28(3,4)27-24(34)14-20(15-31-27)33-9-11-35-12-10-33/h5-8,13-16H,9-12,17H2,1-4H3
InChIKeyCHCPPNZISMLBDN-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.97
Rot. Bonds3

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

4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 50939214) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID50939214
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1ccnc(-c2nc3cnccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1
InChIInChI=1S/C28H30N6O/c1-18-5-8-30-22(13-18)25-19(2)26(21-6-7-29-16-23(21)32-25)34-17-28(3,4)27-24(34)14-20(15-31-27)33-9-11-35-12-10-33/h5-8,13-16H,9-12,17H2,1-4H3
InChIKeyCHCPPNZISMLBDN-UHFFFAOYSA-N
XLogP4.97
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-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-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 50939214) is 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is Cc1ccnc(-c2nc3cnccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1.
What is the InChIKey of 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is CHCPPNZISMLBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-18-5-8-30-22(13-18)25-19(2)26(21-6-7-29-16-23(21)32-25)34-17-28(3,4)27-24(34)14-20(15-31-27)33-9-11-35-12-10-33/h5-8,13-16H,9-12,17H2,1-4H3.
What are the key properties of 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 466.59 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethyl-1-[3-methyl-2-(4-methyl-2-pyridinyl)-1,7-naphthyridin-4-yl]-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 50939214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).