N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C88H81Cl4N19O8 — CID 158399336

IUPACN-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)c(C)n1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C(C)C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C1CC1
InChIInChI=1S/C24H21ClN4O2.C22H20ClN5O2.C22H22ClN5O2.C20H18ClN5O2/c1-14-13-26-22(16(3)27-14)23(30)28-15(2)20-12-17-8-7-11-19(25)21(17)24(31)29(20)18-9-5-4-6-10-18;1-12(25-21(29)18-13(2)26-27-10-4-9-24-20(18)27)17-11-14-5-3-6-16(23)19(14)22(30)28(17)15-7-8-15;1-12(2)28-17(11-15-7-5-8-16(23)19(15)22(28)30)13(3)25-21(29)18-14(4)26-27-10-6-9-24-20(18)27;1-11(15-10-13-6-4-7-14(21)17(13)20(28)25(15)3)23-19(27)16-12(2)24-26-9-5-8-22-18(16)26/h4-13,15H,1-3H3,(H,28,30);3-6,9-12,15H,7-8H2,1-2H3,(H,25,29);5-13H,1-4H3,(H,25,29);4-11H,1-3H3,(H,23,27)/t15-;12-;13-;11-/m0000/s1
InChIKeyGXXGVWPIZOJUPL-UITLLWCZSA-N
MW1674.55 g/mol
LogP15.49
Rot. Bonds15

About N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158399336) has the molecular formula C88H81Cl4N19O8 and a molecular weight of 1674.55 g/mol. Its IUPAC name is N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158399336
Molecular FormulaC88H81Cl4N19O8
Molecular Weight1674.55 g/mol
Exact Mass1671.53
IUPAC NameN-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)c(C)n1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C(C)C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C1CC1
InChIInChI=1S/C24H21ClN4O2.C22H20ClN5O2.C22H22ClN5O2.C20H18ClN5O2/c1-14-13-26-22(16(3)27-14)23(30)28-15(2)20-12-17-8-7-11-19(25)21(17)24(31)29(20)18-9-5-4-6-10-18;1-12(25-21(29)18-13(2)26-27-10-4-9-24-20(18)27)17-11-14-5-3-6-16(23)19(14)22(30)28(17)15-7-8-15;1-12(2)28-17(11-15-7-5-8-16(23)19(15)22(28)30)13(3)25-21(29)18-14(4)26-27-10-6-9-24-20(18)27;1-11(15-10-13-6-4-7-14(21)17(13)20(28)25(15)3)23-19(27)16-12(2)24-26-9-5-8-22-18(16)26/h4-13,15H,1-3H3,(H,28,30);3-6,9-12,15H,7-8H2,1-2H3,(H,25,29);5-13H,1-4H3,(H,25,29);4-11H,1-3H3,(H,23,27)/t15-;12-;13-;11-/m0000/s1
InChIKeyGXXGVWPIZOJUPL-UITLLWCZSA-N
XLogP15.49
TPSA320.75 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.55
LogP ≤ 515.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158399336) is N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc(C(=O)N[C@@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)c(C)n1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C(C)C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1C1CC1.
What is the InChIKey of N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GXXGVWPIZOJUPL-UITLLWCZSA-N. The full InChI is InChI=1S/C24H21ClN4O2.C22H20ClN5O2.C22H22ClN5O2.C20H18ClN5O2/c1-14-13-26-22(16(3)27-14)23(30)28-15(2)20-12-17-8-7-11-19(25)21(17)24(31)29(20)18-9-5-4-6-10-18;1-12(25-21(29)18-13(2)26-27-10-4-9-24-20(18)27)17-11-14-5-3-6-16(23)19(14)22(30)28(17)15-7-8-15;1-12(2)28-17(11-15-7-5-8-16(23)19(15)22(28)30)13(3)25-21(29)18-14(4)26-27-10-6-9-24-20(18)27;1-11(15-10-13-6-4-7-14(21)17(13)20(28)25(15)3)23-19(27)16-12(2)24-26-9-5-8-22-18(16)26/h4-13,15H,1-3H3,(H,28,30);3-6,9-12,15H,7-8H2,1-2H3,(H,25,29);5-13H,1-4H3,(H,25,29);4-11H,1-3H3,(H,23,27)/t15-;12-;13-;11-/m0000/s1.
What are the key properties of N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1674.55 g/mol, XLogP of 15.49, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(8-chloro-2-cyclopropyl-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]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3,5-dimethylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158399336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).