4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine

C26H33N5O — CID 148960361

IUPAC4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2c2cc(N3CCOCC3)nc3c(C4=CC=NC4)nccc23)C1
InChIInChI=1S/C26H33N5O/c1-25(2)13-19-14-26(3,16-25)17-31(19)21-12-22(30-8-10-32-11-9-30)29-24-20(21)5-7-28-23(24)18-4-6-27-15-18/h4-7,12,19H,8-11,13-17H2,1-3H3/t19-,26-/m1/s1
InChIKeyPRRRMRJNMVYPMM-NIYFSFCBSA-N
MW431.58 g/mol
LogP4.34
Rot. Bonds3

About 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine

4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 148960361) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID148960361
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2c2cc(N3CCOCC3)nc3c(C4=CC=NC4)nccc23)C1
InChIInChI=1S/C26H33N5O/c1-25(2)13-19-14-26(3,16-25)17-31(19)21-12-22(30-8-10-32-11-9-30)29-24-20(21)5-7-28-23(24)18-4-6-27-15-18/h4-7,12,19H,8-11,13-17H2,1-3H3/t19-,26-/m1/s1
InChIKeyPRRRMRJNMVYPMM-NIYFSFCBSA-N
XLogP4.34
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine 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 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine (CID 148960361) is 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine is CC1(C)C[C@@H]2C[C@@](C)(CN2c2cc(N3CCOCC3)nc3c(C4=CC=NC4)nccc23)C1.
What is the InChIKey of 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is PRRRMRJNMVYPMM-NIYFSFCBSA-N. The full InChI is InChI=1S/C26H33N5O/c1-25(2)13-19-14-26(3,16-25)17-31(19)21-12-22(30-8-10-32-11-9-30)29-24-20(21)5-7-28-23(24)18-4-6-27-15-18/h4-7,12,19H,8-11,13-17H2,1-3H3/t19-,26-/m1/s1.
What are the key properties of 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine?
4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 431.58 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 148960361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).