1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate

C32H38N6O6 — CID 118869297

IUPAC1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccnn4C4CCCCO4)nccc23)n1C(=O)OC(C)(C)C
InChIInChI=1S/C32H38N6O6/c1-20-19-42-17-15-36(20)26-18-22(23-9-10-25(30(39)41-5)37(23)31(40)44-32(2,3)4)21-11-13-33-29(28(21)35-26)24-12-14-34-38(24)27-8-6-7-16-43-27/h9-14,18,20,27H,6-8,15-17,19H2,1-5H3/t20-,27?/m1/s1
InChIKeyFTFHZTJZPLCMIO-ACVCQEAVSA-N
MW602.69 g/mol
LogP5.46
Rot. Bonds5

About 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate (PubChem CID 118869297) has the molecular formula C32H38N6O6 and a molecular weight of 602.69 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate
PubChem CID118869297
Molecular FormulaC32H38N6O6
Molecular Weight602.69 g/mol
Exact Mass602.29
IUPAC Name1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccnn4C4CCCCO4)nccc23)n1C(=O)OC(C)(C)C
InChIInChI=1S/C32H38N6O6/c1-20-19-42-17-15-36(20)26-18-22(23-9-10-25(30(39)41-5)37(23)31(40)44-32(2,3)4)21-11-13-33-29(28(21)35-26)24-12-14-34-38(24)27-8-6-7-16-43-27/h9-14,18,20,27H,6-8,15-17,19H2,1-5H3/t20-,27?/m1/s1
InChIKeyFTFHZTJZPLCMIO-ACVCQEAVSA-N
XLogP5.46
TPSA122.83 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate 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 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate (CID 118869297) is 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate is COC(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccnn4C4CCCCO4)nccc23)n1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate?
The InChIKey is FTFHZTJZPLCMIO-ACVCQEAVSA-N. The full InChI is InChI=1S/C32H38N6O6/c1-20-19-42-17-15-36(20)26-18-22(23-9-10-25(30(39)41-5)37(23)31(40)44-32(2,3)4)21-11-13-33-29(28(21)35-26)24-12-14-34-38(24)27-8-6-7-16-43-27/h9-14,18,20,27H,6-8,15-17,19H2,1-5H3/t20-,27?/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate has a molecular weight of 602.69 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl 5-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyrrole-1,2-dicarboxylate is sourced from PubChem (CID 118869297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).