N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C78H63Cl2F4N15O7 — CID 159085546

IUPACN-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C)ccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1F.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(OCC(F)(F)F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H22F3N5O3.C26H22ClN5O2.C25H19ClFN5O2/c1-16(32-25(36)22-17(2)33-34-13-7-12-31-24(22)34)20-14-18-8-6-11-21(38-15-27(28,29)30)23(18)26(37)35(20)19-9-4-3-5-10-19;1-15-12-13-28-24-22(17(3)30-32(15)24)25(33)29-16(2)21-14-18-8-7-11-20(27)23(18)26(34)31(21)19-9-5-4-6-10-19;1-14(29-24(33)21-15(2)30-31-12-6-11-28-23(21)31)20-13-16-7-5-8-17(26)22(16)25(34)32(20)19-10-4-3-9-18(19)27/h3-14,16H,15H2,1-2H3,(H,32,36);4-14,16H,1-3H3,(H,29,33);3-14H,1-2H3,(H,29,33)/t2*16-;14-/m000/s1
InChIKeyKBKCGNFOSFUGHT-HWHAGFBSSA-N
MW1469.36 g/mol
LogP14.19
Rot. Bonds14

About N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159085546) has the molecular formula C78H63Cl2F4N15O7 and a molecular weight of 1469.36 g/mol. Its IUPAC name is N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159085546
Molecular FormulaC78H63Cl2F4N15O7
Molecular Weight1469.36 g/mol
Exact Mass1467.43
IUPAC NameN-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C)ccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1F.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(OCC(F)(F)F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H22F3N5O3.C26H22ClN5O2.C25H19ClFN5O2/c1-16(32-25(36)22-17(2)33-34-13-7-12-31-24(22)34)20-14-18-8-6-11-21(38-15-27(28,29)30)23(18)26(37)35(20)19-9-4-3-5-10-19;1-15-12-13-28-24-22(17(3)30-32(15)24)25(33)29-16(2)21-14-18-8-7-11-20(27)23(18)26(34)31(21)19-9-5-4-6-10-19;1-14(29-24(33)21-15(2)30-31-12-6-11-28-23(21)31)20-13-16-7-5-8-17(26)22(16)25(34)32(20)19-10-4-3-9-18(19)27/h3-14,16H,15H2,1-2H3,(H,32,36);4-14,16H,1-3H3,(H,29,33);3-14H,1-2H3,(H,29,33)/t2*16-;14-/m000/s1
InChIKeyKBKCGNFOSFUGHT-HWHAGFBSSA-N
XLogP14.19
TPSA253.10 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.36
LogP ≤ 514.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-oxo-2-[4-[1-(3-phenoxyphenyl)ethylamino]piperidin-1-yl]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522665
2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122452135
2-amino-N-[1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123509966
N-[3-[5-chloro-2-(1-fluoroethoxy)phenyl]-1-[2-[4-[methyl-[(3-phenoxyphenyl)methyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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2-amino-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-ethyl-3-phenylquinazolin-4-one
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7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
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CID 155141086

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159085546) is N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C)ccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1F.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(OCC(F)(F)F)c2c(=O)n1-c1ccccc1.
What is the InChIKey of N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KBKCGNFOSFUGHT-HWHAGFBSSA-N. The full InChI is InChI=1S/C27H22F3N5O3.C26H22ClN5O2.C25H19ClFN5O2/c1-16(32-25(36)22-17(2)33-34-13-7-12-31-24(22)34)20-14-18-8-6-11-21(38-15-27(28,29)30)23(18)26(37)35(20)19-9-4-3-5-10-19;1-15-12-13-28-24-22(17(3)30-32(15)24)25(33)29-16(2)21-14-18-8-7-11-20(27)23(18)26(34)31(21)19-9-5-4-6-10-19;1-14(29-24(33)21-15(2)30-31-12-6-11-28-23(21)31)20-13-16-7-5-8-17(26)22(16)25(34)32(20)19-10-4-3-9-18(19)27/h3-14,16H,15H2,1-2H3,(H,32,36);4-14,16H,1-3H3,(H,29,33);3-14H,1-2H3,(H,29,33)/t2*16-;14-/m000/s1.
What are the key properties of N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1469.36 g/mol, XLogP of 14.19, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[8-chloro-2-(2-fluorophenyl)-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]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159085546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).