2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide

C117H143F3N26O11 — CID 159090108

About 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide

2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide (PubChem CID 159090108) has the molecular formula C117H143F3N26O11 and a molecular weight of 2146.60 g/mol. Its IUPAC name is 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide.

Molecular Properties

• Compound Name: 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide
• PubChem CID: 159090108
• Molecular Formula: C117H143F3N26O11
• Molecular Weight: 2146.60 g/mol
• Exact Mass: 2145.14
• IUPAC Name: 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide
• SMILES: CCCN(CCC)C(=O)C1=Cc2cc(CO)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2cc(F)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CN)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)CN)c3)cc2N=C(N)C1
• InChI: InChI=1S/C37H44F2N8O3.2C27H34N6O3.C26H31FN6O2/c1-3-12-47(13-4-2)36(50)28-15-26-9-10-27(17-32(26)45-33(41)18-28)35(49)44-30-16-29-21-46(14-11-31(29)42-19-30)20-24-5-7-25(8-6-24)34(48)43-23-37(38,39)22-40;1-3-7-33(8-4-2)27(36)18-9-17-10-20(16-34)22(13-24(17)32-25(28)12-18)26(35)31-21-11-19-14-29-6-5-23(19)30-15-21;1-3-9-33(10-4-2)27(36)21-12-19-6-7-20(13-24(19)32-25(29)14-21)26(35)31-22-11-18(16-30-17-22)5-8-23(34)15-28;1-3-7-33(8-4-2)26(35)17-9-16-11-21(27)20(13-23(16)32-24(28)12-17)25(34)31-19-10-18-14-29-6-5-22(18)30-15-19/h5-10,15-17,19H,3-4,11-14,18,20-23,40H2,1-2H3,(H2,41,45)(H,43,48)(H,44,49);9-11,13,15,29,34H,3-8,12,14,16H2,1-2H3,(H2,28,32)(H,31,35);6-7,11-13,16-17H,3-5,8-10,14-15,28H2,1-2H3,(H2,29,32)(H,31,35);9-11,13,15,29H,3-8,12,14H2,1-2H3,(H2,28,32)(H,31,34)
• InChIKey: KBYKZVOPTYZBGF-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 548.46 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 39
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.60
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide?

The IUPAC name of 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide (CID 159090108) is 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide.

What is the SMILES notation for 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide?

The canonical SMILES for 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide is CCCN(CCC)C(=O)C1=Cc2cc(CO)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2cc(F)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CN)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)CN)c3)cc2N=C(N)C1.

What is the InChIKey of 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide?

The InChIKey is KBYKZVOPTYZBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44F2N8O3.2C27H34N6O3.C26H31FN6O2/c1-3-12-47(13-4-2)36(50)28-15-26-9-10-27(17-32(26)45-33(41)18-28)35(49)44-30-16-29-21-46(14-11-31(29)42-19-30)20-24-5-7-25(8-6-24)34(48)43-23-37(38,39)22-40;1-3-7-33(8-4-2)27(36)18-9-17-10-20(16-34)22(13-24(17)32-25(28)12-18)26(35)31-21-11-19-14-29-6-5-23(19)30-15-21;1-3-9-33(10-4-2)27(36)21-12-19-6-7-20(13-24(19)32-25(29)14-21)26(35)31-22-11-18(16-30-17-22)5-8-23(34)15-28;1-3-7-33(8-4-2)26(35)17-9-16-11-21(27)20(13-23(16)32-24(28)12-17)25(34)31-19-10-18-14-29-6-5-22(18)30-15-19/h5-10,15-17,19H,3-4,11-14,18,20-23,40H2,1-2H3,(H2,41,45)(H,43,48)(H,44,49);9-11,13,15,29,34H,3-8,12,14,16H2,1-2H3,(H2,28,32)(H,31,35);6-7,11-13,16-17H,3-5,8-10,14-15,28H2,1-2H3,(H2,29,32)(H,31,35);9-11,13,15,29H,3-8,12,14H2,1-2H3,(H2,28,32)(H,31,34).

What are the key properties of 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide?

2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide has a molecular weight of 2146.60 g/mol, XLogP of 14.30, 39 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide is sourced from PubChem (CID 159090108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).