(2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C102H103N19O11S — CID 160687253

About (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

(2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 160687253) has the molecular formula C102H103N19O11S and a molecular weight of 1803.13 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
• PubChem CID: 160687253
• Molecular Formula: C102H103N19O11S
• Molecular Weight: 1803.13 g/mol
• Exact Mass: 1801.78
• IUPAC Name: (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
• SMILES: COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Nc2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)[C@@H](N)c2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CN(S(=O)(=O)c2ccccc2)CC4)cc1
• InChI: InChI=1S/C30H33N5O4.C25H25N5O2.C24H23N5O2.C23H22N4O3S/c1-30(2,3)39-29(37)33-26(21-8-6-5-7-9-21)28(36)34-15-14-24-22(19-34)16-31-27-25(24)17-32-35(27)18-20-10-12-23(38-4)13-11-20;1-32-20-9-7-17(8-10-20)15-30-24-22(14-28-30)21-11-12-29(16-19(21)13-27-24)25(31)23(26)18-5-3-2-4-6-18;1-31-20-9-7-17(8-10-20)15-29-23-22(14-26-29)21-11-12-28(16-18(21)13-25-23)24(30)27-19-5-3-2-4-6-19;1-30-19-9-7-17(8-10-19)15-27-23-22(14-25-27)21-11-12-26(16-18(21)13-24-23)31(28,29)20-5-3-2-4-6-20/h5-13,16-17,26H,14-15,18-19H2,1-4H3,(H,33,37);2-10,13-14,23H,11-12,15-16,26H2,1H3;2-10,13-14H,11-12,15-16H2,1H3,(H,27,30);2-10,13-14H,11-12,15-16H2,1H3/t26-;23-;;/m00../s1
• InChIKey: ROXSRZADYZFMKR-CQIXXRNHSA-N
• XLogP: 15.03
• TPSA: 334.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1803.13
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?

The IUPAC name of (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 160687253) is (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

What is the SMILES notation for (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?

The canonical SMILES for (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Nc2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)[C@@H](N)c2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CN(S(=O)(=O)c2ccccc2)CC4)cc1.

What is the InChIKey of (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?

The InChIKey is ROXSRZADYZFMKR-CQIXXRNHSA-N. The full InChI is InChI=1S/C30H33N5O4.C25H25N5O2.C24H23N5O2.C23H22N4O3S/c1-30(2,3)39-29(37)33-26(21-8-6-5-7-9-21)28(36)34-15-14-24-22(19-34)16-31-27-25(24)17-32-35(27)18-20-10-12-23(38-4)13-11-20;1-32-20-9-7-17(8-10-20)15-30-24-22(14-28-30)21-11-12-29(16-19(21)13-27-24)25(31)23(26)18-5-3-2-4-6-18;1-31-20-9-7-17(8-10-20)15-29-23-22(14-26-29)21-11-12-28(16-18(21)13-25-23)24(30)27-19-5-3-2-4-6-19;1-30-19-9-7-17(8-10-19)15-27-23-22(14-25-27)21-11-12-26(16-18(21)13-24-23)31(28,29)20-5-3-2-4-6-20/h5-13,16-17,26H,14-15,18-19H2,1-4H3,(H,33,37);2-10,13-14,23H,11-12,15-16,26H2,1H3;2-10,13-14H,11-12,15-16H2,1H3,(H,27,30);2-10,13-14H,11-12,15-16H2,1H3/t26-;23-;;/m00../s1.

What are the key properties of (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?

(2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 1803.13 g/mol, XLogP of 15.03, 20 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;tert-butyl N-[(1S)-2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]carbamate;3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 160687253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).