N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C123H104FN21O10 — CID 162024150

About N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162024150) has the molecular formula C123H104FN21O10 and a molecular weight of 2055.32 g/mol. Its IUPAC name is N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 162024150
• Molecular Formula: C123H104FN21O10
• Molecular Weight: 2055.32 g/mol
• Exact Mass: 2053.83
• IUPAC Name: N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1cc(-c2cccc3cc([C@H](C)NC(=O)c4c(C)ncc5cccnc45)n(-c4ccccc4)c(=O)c23)ccn1.Cc1cccc(-c2cccc3cc([C@H](C)NC(=O)c4c(C)nn5cccnc45)n(-c4ccccc4)c(=O)c23)c1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(-c3ccnc(OC(C)C)c3)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(F)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C33H30N6O3.C33H27N5O3.C32H27N5O2.C25H20FN5O2/c1-20(2)42-28-19-23(14-16-34-28)26-13-8-10-24-18-27(39(33(41)30(24)26)25-11-6-5-7-12-25)21(3)36-32(40)29-22(4)37-38-17-9-15-35-31(29)38;1-20(37-32(39)29-21(2)36-19-24-10-8-15-35-31(24)29)27-17-23-9-7-13-26(22-14-16-34-28(18-22)41-3)30(23)33(40)38(27)25-11-5-4-6-12-25;1-20-10-7-11-23(18-20)26-15-8-12-24-19-27(37(32(39)29(24)26)25-13-5-4-6-14-25)21(2)34-31(38)28-22(3)35-36-17-9-16-33-30(28)36;1-15(28-24(32)21-16(2)29-30-13-7-12-27-23(21)30)20-14-17-8-6-11-19(26)22(17)25(33)31(20)18-9-4-3-5-10-18/h5-21H,1-4H3,(H,36,40);4-20H,1-3H3,(H,37,39);4-19,21H,1-3H3,(H,34,38);3-15H,1-2H3,(H,28,32)/t21-;20-;21-;15-/m0000/s1
• InChIKey: YVDJTQLLMGWHAF-STVOPCRISA-N
• XLogP: 21.27
• TPSA: 364.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.32
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162024150) is N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(-c2cccc3cc([C@H](C)NC(=O)c4c(C)ncc5cccnc45)n(-c4ccccc4)c(=O)c23)ccn1.Cc1cccc(-c2cccc3cc([C@H](C)NC(=O)c4c(C)nn5cccnc45)n(-c4ccccc4)c(=O)c23)c1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(-c3ccnc(OC(C)C)c3)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(F)c2c(=O)n1-c1ccccc1.

What is the InChIKey of N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is YVDJTQLLMGWHAF-STVOPCRISA-N. The full InChI is InChI=1S/C33H30N6O3.C33H27N5O3.C32H27N5O2.C25H20FN5O2/c1-20(2)42-28-19-23(14-16-34-28)26-13-8-10-24-18-27(39(33(41)30(24)26)25-11-6-5-7-12-25)21(3)36-32(40)29-22(4)37-38-17-9-15-35-31(29)38;1-20(37-32(39)29-21(2)36-19-24-10-8-15-35-31(24)29)27-17-23-9-7-13-26(22-14-16-34-28(18-22)41-3)30(23)33(40)38(27)25-11-5-4-6-12-25;1-20-10-7-11-23(18-20)26-15-8-12-24-19-27(37(32(39)29(24)26)25-13-5-4-6-14-25)21(2)34-31(38)28-22(3)35-36-17-9-16-33-30(28)36;1-15(28-24(32)21-16(2)29-30-13-7-12-27-23(21)30)20-14-17-8-6-11-19(26)22(17)25(33)31(20)18-9-4-3-5-10-18/h5-21H,1-4H3,(H,36,40);4-20H,1-3H3,(H,37,39);4-19,21H,1-3H3,(H,34,38);3-15H,1-2H3,(H,28,32)/t21-;20-;21-;15-/m0000/s1.

What are the key properties of N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2055.32 g/mol, XLogP of 21.27, 22 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;2-methyl-N-[(1S)-1-[8-(3-methylphenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-propan-2-yloxy-4-pyridinyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162024150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).