N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide

C109H102F8N20O9 — CID 167674050

About N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide

N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide (PubChem CID 167674050) has the molecular formula C109H102F8N20O9 and a molecular weight of 1988.13 g/mol. Its IUPAC name is N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide.

Molecular Properties

• Compound Name: N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide
• PubChem CID: 167674050
• Molecular Formula: C109H102F8N20O9
• Molecular Weight: 1988.13 g/mol
• Exact Mass: 1986.80
• IUPAC Name: N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide
• SMILES: CC(C)c1cc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)CCc2ccc3c(N)nccc3c2)n[nH]1.CCn1nc(C)cc1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc2c(N)nccc2c1.Cc1nc2ccccn2c1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)CCc1ccc2c(N)nccc2c1.Cn1cc(C(=O)CC(Cc2ccc(F)c(F)c2)C(=O)NCc2ccc3c(N)nccc3c2)ccc1=O
• InChI: InChI=1S/C29H25F2N5O2.C27H27F2N5O2.C27H24F2N4O3.C26H26F2N6O2/c1-17-27(36-13-3-2-4-26(36)34-17)29(38)35-24(16-19-6-9-22(30)23(31)15-19)25(37)10-7-18-5-8-21-20(14-18)11-12-33-28(21)32;1-15(2)22-14-24(34-33-22)27(36)32-23(13-17-4-7-20(28)21(29)12-17)25(35)8-5-16-3-6-19-18(11-16)9-10-31-26(19)30;1-33-15-19(4-7-25(33)35)24(34)13-20(10-16-3-6-22(28)23(29)12-16)27(36)32-14-17-2-5-21-18(11-17)8-9-31-26(21)30;1-3-34-23(10-15(2)33-34)26(36)32-22(13-16-5-7-20(27)21(28)12-16)25(35)31-14-17-4-6-19-18(11-17)8-9-30-24(19)29/h2-6,8-9,11-15,24H,7,10,16H2,1H3,(H2,32,33)(H,35,38);3-4,6-7,9-12,14-15,23H,5,8,13H2,1-2H3,(H2,30,31)(H,32,36)(H,33,34);2-9,11-12,15,20H,10,13-14H2,1H3,(H2,30,31)(H,32,36);4-12,22H,3,13-14H2,1-2H3,(H2,29,30)(H,31,35)(H,32,36)/t24-;23-;;22-/m00.0/s1
• InChIKey: UOCAZOAPHQIRTC-LFOFCGFISA-N
• XLogP: 15.90
• TPSA: 438.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1988.13
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide?

The IUPAC name of N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide (CID 167674050) is N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide.

What is the SMILES notation for N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide?

The canonical SMILES for N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide is CC(C)c1cc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)CCc2ccc3c(N)nccc3c2)n[nH]1.CCn1nc(C)cc1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc2c(N)nccc2c1.Cc1nc2ccccn2c1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)CCc1ccc2c(N)nccc2c1.Cn1cc(C(=O)CC(Cc2ccc(F)c(F)c2)C(=O)NCc2ccc3c(N)nccc3c2)ccc1=O.

What is the InChIKey of N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide?

The InChIKey is UOCAZOAPHQIRTC-LFOFCGFISA-N. The full InChI is InChI=1S/C29H25F2N5O2.C27H27F2N5O2.C27H24F2N4O3.C26H26F2N6O2/c1-17-27(36-13-3-2-4-26(36)34-17)29(38)35-24(16-19-6-9-22(30)23(31)15-19)25(37)10-7-18-5-8-21-20(14-18)11-12-33-28(21)32;1-15(2)22-14-24(34-33-22)27(36)32-23(13-17-4-7-20(28)21(29)12-17)25(35)8-5-16-3-6-19-18(11-16)9-10-31-26(19)30;1-33-15-19(4-7-25(33)35)24(34)13-20(10-16-3-6-22(28)23(29)12-16)27(36)32-14-17-2-5-21-18(11-17)8-9-31-26(21)30;1-3-34-23(10-15(2)33-34)26(36)32-22(13-16-5-7-20(27)21(28)12-16)25(35)31-14-17-4-6-19-18(11-17)8-9-30-24(19)29/h2-6,8-9,11-15,24H,7,10,16H2,1H3,(H2,32,33)(H,35,38);3-4,6-7,9-12,14-15,23H,5,8,13H2,1-2H3,(H2,30,31)(H,32,36)(H,33,34);2-9,11-12,15,20H,10,13-14H2,1H3,(H2,30,31)(H,32,36);4-12,22H,3,13-14H2,1-2H3,(H2,29,30)(H,31,35)(H,32,36)/t24-;23-;;22-/m00.0/s1.

What are the key properties of N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide?

N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide has a molecular weight of 1988.13 g/mol, XLogP of 15.90, 33 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide is sourced from PubChem (CID 167674050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).