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

C51H45FN12O5 — CID 157354688

IUPAC2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc2c(C)c([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12.Cc1c([C@H](C)NC(=O)c2c(N)nn3cccnc23)n(-c2ccccc2)c(=O)c2c(F)cccc12
InChIInChI=1S/C26H24N6O3.C25H21FN6O2/c1-15-18-11-7-12-19(35-3)20(18)26(34)32(17-9-5-4-6-10-17)22(15)16(2)29-25(33)21-23(27)30-31-14-8-13-28-24(21)31;1-14-17-10-6-11-18(26)19(17)25(34)32(16-8-4-3-5-9-16)21(14)15(2)29-24(33)20-22(27)30-31-13-7-12-28-23(20)31/h4-14,16H,1-3H3,(H2,27,30)(H,29,33);3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t16-;15-/m00/s1
InChIKeyBHYDYAVNIOYLPJ-HSFSLCHJSA-N
MW925.00 g/mol
LogP6.98
Rot. Bonds9

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

2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157354688) has the molecular formula C51H45FN12O5 and a molecular weight of 925.00 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157354688
Molecular FormulaC51H45FN12O5
Molecular Weight925.00 g/mol
Exact Mass924.36
IUPAC Name2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc2c(C)c([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12.Cc1c([C@H](C)NC(=O)c2c(N)nn3cccnc23)n(-c2ccccc2)c(=O)c2c(F)cccc12
InChIInChI=1S/C26H24N6O3.C25H21FN6O2/c1-15-18-11-7-12-19(35-3)20(18)26(34)32(17-9-5-4-6-10-17)22(15)16(2)29-25(33)21-23(27)30-31-14-8-13-28-24(21)31;1-14-17-10-6-11-18(26)19(17)25(34)32(16-8-4-3-5-9-16)21(14)15(2)29-24(33)20-22(27)30-31-13-7-12-28-23(20)31/h4-14,16H,1-3H3,(H2,27,30)(H,29,33);3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t16-;15-/m00/s1
InChIKeyBHYDYAVNIOYLPJ-HSFSLCHJSA-N
XLogP6.98
TPSA223.85 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.00
LogP ≤ 56.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

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

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Related Compounds

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CID 90643911
(2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
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2-amino-N-[(1S)-1-(8-methoxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzamide
CID 146555611
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1-propan-2-yl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzamide
CID 146555624
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzamide
CID 146556104
3-(6-anilino-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxy-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
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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
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8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-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]octanamide
CID 153403635

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157354688) is 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc2c(C)c([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12.Cc1c([C@H](C)NC(=O)c2c(N)nn3cccnc23)n(-c2ccccc2)c(=O)c2c(F)cccc12.
What is the InChIKey of 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BHYDYAVNIOYLPJ-HSFSLCHJSA-N. The full InChI is InChI=1S/C26H24N6O3.C25H21FN6O2/c1-15-18-11-7-12-19(35-3)20(18)26(34)32(17-9-5-4-6-10-17)22(15)16(2)29-25(33)21-23(27)30-31-14-8-13-28-24(21)31;1-14-17-10-6-11-18(26)19(17)25(34)32(16-8-4-3-5-9-16)21(14)15(2)29-24(33)20-22(27)30-31-13-7-12-28-23(20)31/h4-14,16H,1-3H3,(H2,27,30)(H,29,33);3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t16-;15-/m00/s1.
What are the key properties of 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 925.00 g/mol, XLogP of 6.98, 9 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(8-fluoro-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157354688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).