N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C111H104N22O10 — CID 161047474

About N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 161047474) has the molecular formula C111H104N22O10 and a molecular weight of 1906.20 g/mol. Its IUPAC name is N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 161047474
• Molecular Formula: C111H104N22O10
• Molecular Weight: 1906.20 g/mol
• Exact Mass: 1904.83
• IUPAC Name: N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCCc1cccc2cc([C@H](C)NC(=O)c3c(C)nn4cccnc34)n(-c3ccccc3)c(=O)c12.Cc1cc(-c2cccc3cc([C@H](C)NC(=O)c4c(C)nn5cccnc45)n(C)c(=O)c23)ccn1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C=O)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(CNCC3CCCO3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C31H32N6O3.C28H27N5O2.C26H24N6O2.C26H21N5O3/c1-20(34-30(38)27-21(2)35-36-15-8-14-33-29(27)36)26-17-22-9-6-10-23(18-32-19-25-13-7-16-40-25)28(22)31(39)37(26)24-11-4-3-5-12-24;1-4-10-20-11-8-12-21-17-23(33(28(35)25(20)21)22-13-6-5-7-14-22)18(2)30-27(34)24-19(3)31-32-16-9-15-29-26(24)32;1-15-13-18(9-11-27-15)20-8-5-7-19-14-21(31(4)26(34)23(19)20)16(2)29-25(33)22-17(3)30-32-12-6-10-28-24(22)32;1-16(28-25(33)22-17(2)29-30-13-7-12-27-24(22)30)21-14-18-8-6-9-19(15-32)23(18)26(34)31(21)20-10-4-3-5-11-20/h3-6,8-12,14-15,17,20,25,32H,7,13,16,18-19H2,1-2H3,(H,34,38);5-9,11-18H,4,10H2,1-3H3,(H,30,34);5-14,16H,1-4H3,(H,29,33);3-16H,1-2H3,(H,28,33)/t20-,25?;18-;2*16-/m0000/s1
• InChIKey: UBRMOXWLBMZGPP-VXDVIKISSA-N
• XLogP: 16.28
• TPSA: 376.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.20
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 161047474) is N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCc1cccc2cc([C@H](C)NC(=O)c3c(C)nn4cccnc34)n(-c3ccccc3)c(=O)c12.Cc1cc(-c2cccc3cc([C@H](C)NC(=O)c4c(C)nn5cccnc45)n(C)c(=O)c23)ccn1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C=O)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(CNCC3CCCO3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UBRMOXWLBMZGPP-VXDVIKISSA-N. The full InChI is InChI=1S/C31H32N6O3.C28H27N5O2.C26H24N6O2.C26H21N5O3/c1-20(34-30(38)27-21(2)35-36-15-8-14-33-29(27)36)26-17-22-9-6-10-23(18-32-19-25-13-7-16-40-25)28(22)31(39)37(26)24-11-4-3-5-12-24;1-4-10-20-11-8-12-21-17-23(33(28(35)25(20)21)22-13-6-5-7-14-22)18(2)30-27(34)24-19(3)31-32-16-9-15-29-26(24)32;1-15-13-18(9-11-27-15)20-8-5-7-19-14-21(31(4)26(34)23(19)20)16(2)29-25(33)22-17(3)30-32-12-6-10-28-24(22)32;1-16(28-25(33)22-17(2)29-30-13-7-12-27-24(22)30)21-14-18-8-6-9-19(15-32)23(18)26(34)31(21)20-10-4-3-5-11-20/h3-6,8-12,14-15,17,20,25,32H,7,13,16,18-19H2,1-2H3,(H,34,38);5-9,11-18H,4,10H2,1-3H3,(H,30,34);5-14,16H,1-4H3,(H,29,33);3-16H,1-2H3,(H,28,33)/t20-,25?;18-;2*16-/m0000/s1.

What are the key properties of N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1906.20 g/mol, XLogP of 16.28, 23 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 161047474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).