3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid

C85H90BrN17O10 — CID 159708914

About 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid

3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 159708914) has the molecular formula C85H90BrN17O10 and a molecular weight of 1589.67 g/mol. Its IUPAC name is 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid
• PubChem CID: 159708914
• Molecular Formula: C85H90BrN17O10
• Molecular Weight: 1589.67 g/mol
• Exact Mass: 1587.62
• IUPAC Name: 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid
• SMILES: Brc1cnc2cccnc2c1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2cnc3cccnc3c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2cnc3cccnc3c2)C1.O=C(O)C1CCN(c2cnc3cccnc3c2)C1.c1cnc2cccnc2c1
• InChI: InChI=1S/2C28H33N5O4.C13H13N3O2.C8H5BrN2.C8H6N2/c2*34-27(19-5-6-25-26(14-19)37-13-12-36-25)24(18-32-9-1-2-10-32)31-28(35)20-7-11-33(17-20)21-15-23-22(30-16-21)4-3-8-29-23;17-13(18)9-3-5-16(8-9)10-6-12-11(15-7-10)2-1-4-14-12;9-6-4-8-7(11-5-6)2-1-3-10-8;1-3-7-8(9-5-1)4-2-6-10-7/h2*3-6,8,14-16,20,24,27,34H,1-2,7,9-13,17-18H2,(H,31,35);1-2,4,6-7,9H,3,5,8H2,(H,17,18);1-5H;1-6H/t20-,24+,27+;20-,24-,27-;;;/m01.../s1
• InChIKey: MYOUPTMTMJDNGY-BZHJXCBXSA-N
• XLogP: 10.65
• TPSA: 317.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1589.67
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid?

The IUPAC name of 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid (CID 159708914) is 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid.

What is the SMILES notation for 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid?

The canonical SMILES for 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid is Brc1cnc2cccnc2c1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2cnc3cccnc3c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2cnc3cccnc3c2)C1.O=C(O)C1CCN(c2cnc3cccnc3c2)C1.c1cnc2cccnc2c1.

What is the InChIKey of 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid?

The InChIKey is MYOUPTMTMJDNGY-BZHJXCBXSA-N. The full InChI is InChI=1S/2C28H33N5O4.C13H13N3O2.C8H5BrN2.C8H6N2/c2*34-27(19-5-6-25-26(14-19)37-13-12-36-25)24(18-32-9-1-2-10-32)31-28(35)20-7-11-33(17-20)21-15-23-22(30-16-21)4-3-8-29-23;17-13(18)9-3-5-16(8-9)10-6-12-11(15-7-10)2-1-4-14-12;9-6-4-8-7(11-5-6)2-1-3-10-8;1-3-7-8(9-5-1)4-2-6-10-7/h2*3-6,8,14-16,20,24,27,34H,1-2,7,9-13,17-18H2,(H,31,35);1-2,4,6-7,9H,3,5,8H2,(H,17,18);1-5H;1-6H/t20-,24+,27+;20-,24-,27-;;;/m01.../s1.

What are the key properties of 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid?

3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 1589.67 g/mol, XLogP of 10.65, 16 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1,5-naphthyridine;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxamide;1,5-naphthyridine;1-(1,5-naphthyridin-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 159708914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).