N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C112H105Cl2N21O10S — CID 158001986

About N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158001986) has the molecular formula C112H105Cl2N21O10S and a molecular weight of 2008.18 g/mol. Its IUPAC name is N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158001986
• Molecular Formula: C112H105Cl2N21O10S
• Molecular Weight: 2008.18 g/mol
• Exact Mass: 2005.75
• IUPAC Name: N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(-c2cccc3cc([C@H](C)NC(=O)c4c(C)nn5ccc(C)nc45)n(-c4ccccc4)c(=O)c23)ccn1.Cc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)nc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C3CC3)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C1CCCCC1
• InChI: InChI=1S/C32H28N6O2.C28H25N5O2.C27H26ClN5O4S.C25H26ClN5O2/c1-19-14-16-37-30(34-19)28(22(4)36-37)31(39)35-21(3)27-18-24-9-8-12-26(23-13-15-33-20(2)17-23)29(24)32(40)38(27)25-10-6-5-7-11-25;1-17(30-27(34)24-18(2)31-32-15-7-14-29-26(24)32)23-16-20-8-6-11-22(19-12-13-19)25(20)28(35)33(23)21-9-4-3-5-10-21;1-15(23-13-18-7-5-9-21(28)24(18)27(35)33(23)3)30-26(34)25-16(2)29-14-22(31-25)17-6-4-8-20(12-17)38(36,37)32-19-10-11-19;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/h5-18,21H,1-4H3,(H,35,39);3-11,14-17,19H,12-13H2,1-2H3,(H,30,34);4-9,12-15,19,32H,10-11H2,1-3H3,(H,30,34);6-8,11-15,18H,3-5,9-10H2,1-2H3,(H,28,32)/t21-;17-;2*15-/m0000/s1
• InChIKey: FDVOEEWXULHZPX-OMBRLVIOSA-N
• XLogP: 19.11
• TPSA: 379.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.18
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158001986) is N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2cccc3cc([C@H](C)NC(=O)c4c(C)nn5ccc(C)nc45)n(-c4ccccc4)c(=O)c23)ccn1.Cc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)nc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C3CC3)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C1CCCCC1.

What is the InChIKey of N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FDVOEEWXULHZPX-OMBRLVIOSA-N. The full InChI is InChI=1S/C32H28N6O2.C28H25N5O2.C27H26ClN5O4S.C25H26ClN5O2/c1-19-14-16-37-30(34-19)28(22(4)36-37)31(39)35-21(3)27-18-24-9-8-12-26(23-13-15-33-20(2)17-23)29(24)32(40)38(27)25-10-6-5-7-11-25;1-17(30-27(34)24-18(2)31-32-15-7-14-29-26(24)32)23-16-20-8-6-11-22(19-12-13-19)25(20)28(35)33(23)21-9-4-3-5-10-21;1-15(23-13-18-7-5-9-21(28)24(18)27(35)33(23)3)30-26(34)25-16(2)29-14-22(31-25)17-6-4-8-20(12-17)38(36,37)32-19-10-11-19;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/h5-18,21H,1-4H3,(H,35,39);3-11,14-17,19H,12-13H2,1-2H3,(H,30,34);4-9,12-15,19,32H,10-11H2,1-3H3,(H,30,34);6-8,11-15,18H,3-5,9-10H2,1-2H3,(H,28,32)/t21-;17-;2*15-/m0000/s1.

What are the key properties of N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2008.18 g/mol, XLogP of 19.11, 21 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158001986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).