5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C21H24N6O2 — CID 134446608

IUPAC5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESc1cc(-c2nccc3c(N4CC5COCC5C4)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C21H24N6O2/c1-3-22-21(17-2-4-23-25-17)20-16(1)18(27-10-14-12-29-13-15(14)11-27)9-19(24-20)26-5-7-28-8-6-26/h1-4,9,14-15H,5-8,10-13H2,(H,23,25)
InChIKeySOCYQBDBFKMTOT-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.94
Rot. Bonds3

About 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 134446608) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID134446608
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESc1cc(-c2nccc3c(N4CC5COCC5C4)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C21H24N6O2/c1-3-22-21(17-2-4-23-25-17)20-16(1)18(27-10-14-12-29-13-15(14)11-27)9-19(24-20)26-5-7-28-8-6-26/h1-4,9,14-15H,5-8,10-13H2,(H,23,25)
InChIKeySOCYQBDBFKMTOT-UHFFFAOYSA-N
XLogP1.94
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 134446608) is 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is c1cc(-c2nccc3c(N4CC5COCC5C4)cc(N4CCOCC4)nc23)[nH]n1.
What is the InChIKey of 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is SOCYQBDBFKMTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-3-22-21(17-2-4-23-25-17)20-16(1)18(27-10-14-12-29-13-15(14)11-27)9-19(24-20)26-5-7-28-8-6-26/h1-4,9,14-15H,5-8,10-13H2,(H,23,25).
What are the key properties of 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 392.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 134446608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).