2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C61H56N14O5 — CID 159667247

IUPAC2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(CCc3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(OCc3cnn(C)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C31H29N7O2.C30H27N7O3/c1-20(34-30(39)27-21(2)35-37-16-8-15-32-29(27)37)26-17-24-10-7-9-23(14-13-22-18-33-36(3)19-22)28(24)31(40)38(26)25-11-5-4-6-12-25;1-19(33-29(38)26-20(2)34-36-14-8-13-31-28(26)36)24-15-22-9-7-12-25(40-18-21-16-32-35(3)17-21)27(22)30(39)37(24)23-10-5-4-6-11-23/h4-12,15-20H,13-14H2,1-3H3,(H,34,39);4-17,19H,18H2,1-3H3,(H,33,38)/t20-;19-/m00/s1
InChIKeyMTOIRHLSDCFXKJ-VPRRGWHLSA-N
MW1065.21 g/mol
LogP8.50
Rot. Bonds14

About 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159667247) has the molecular formula C61H56N14O5 and a molecular weight of 1065.21 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159667247
Molecular FormulaC61H56N14O5
Molecular Weight1065.21 g/mol
Exact Mass1064.46
IUPAC Name2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(CCc3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(OCc3cnn(C)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C31H29N7O2.C30H27N7O3/c1-20(34-30(39)27-21(2)35-37-16-8-15-32-29(27)37)26-17-24-10-7-9-23(14-13-22-18-33-36(3)19-22)28(24)31(40)38(26)25-11-5-4-6-12-25;1-19(33-29(38)26-20(2)34-36-14-8-13-31-28(26)36)24-15-22-9-7-12-25(40-18-21-16-32-35(3)17-21)27(22)30(39)37(24)23-10-5-4-6-11-23/h4-12,15-20H,13-14H2,1-3H3,(H,34,39);4-17,19H,18H2,1-3H3,(H,33,38)/t20-;19-/m00/s1
InChIKeyMTOIRHLSDCFXKJ-VPRRGWHLSA-N
XLogP8.50
TPSA207.45 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.21
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[(1S)-1-(8-methoxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89842245
7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptanamide
CID 148108443
9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]nonanamide
CID 148676947
6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexanamide
CID 153403654
8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]octanamide
CID 153403664
3-(4-(3-(2-(2-(2-(4-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)propyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
CID 156259935
6-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]oxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexanamide
CID 164617274
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-methoxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168272411
4-[7-[2-(Dimethylamino)-3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146396586
US9580437, Example 130
CID 121433071
US9580437, Example 129
CID 121433072
US11168095, Example 65
CID 142412049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159667247) is 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(CCc3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(OCc3cnn(C)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MTOIRHLSDCFXKJ-VPRRGWHLSA-N. The full InChI is InChI=1S/C31H29N7O2.C30H27N7O3/c1-20(34-30(39)27-21(2)35-37-16-8-15-32-29(27)37)26-17-24-10-7-9-23(14-13-22-18-33-36(3)19-22)28(24)31(40)38(26)25-11-5-4-6-12-25;1-19(33-29(38)26-20(2)34-36-14-8-13-31-28(26)36)24-15-22-9-7-12-25(40-18-21-16-32-35(3)17-21)27(22)30(39)37(24)23-10-5-4-6-11-23/h4-12,15-20H,13-14H2,1-3H3,(H,34,39);4-17,19H,18H2,1-3H3,(H,33,38)/t20-;19-/m00/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1065.21 g/mol, XLogP of 8.50, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159667247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).