1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide

C112H134F3N19O10 — CID 159437308

IUPAC1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide
SMILESCCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)C4(C)CC4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CC#N)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CCOC)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(NC(=O)CC4CCCCN(C)C4=O)cc3)nn12
InChIInChI=1S/C31H40N6O3.C28H33FN4O2.C27H33FN4O3.C26H28FN5O2/c1-4-25-19-27(31(40)36-17-8-5-6-10-21(36)2)33-28-20-26(34-37(25)28)22-12-14-24(15-13-22)32-29(38)18-23-11-7-9-16-35(3)30(23)39;1-4-20-16-24(27(35)32-13-7-5-6-8-18(32)2)30-26-17-23(31-33(20)26)21-10-9-19(14-22(21)29)15-25(34)28(3)11-12-28;1-4-20-16-25(27(34)31-12-7-5-6-8-18(31)2)29-26-17-24(30-32(20)26)22-10-9-19(15-23(22)28)14-21(33)11-13-35-3;1-3-19-15-24(26(34)31-12-6-4-5-7-17(31)2)29-25-16-23(30-32(19)25)21-9-8-18(14-22(21)27)13-20(33)10-11-28/h12-15,19-21,23H,4-11,16-18H2,1-3H3,(H,32,38);9-10,14,16-18H,4-8,11-13,15H2,1-3H3;9-10,15-18H,4-8,11-14H2,1-3H3;8-9,14-17H,3-7,10,12-13H2,1-2H3
InChIKeyLRSVGYPITKTNRJ-UHFFFAOYSA-N
MW1963.42 g/mol
LogP19.54
Rot. Bonds26

About 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide

1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide (PubChem CID 159437308) has the molecular formula C112H134F3N19O10 and a molecular weight of 1963.42 g/mol. Its IUPAC name is 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide
PubChem CID159437308
Molecular FormulaC112H134F3N19O10
Molecular Weight1963.42 g/mol
Exact Mass1962.05
IUPAC Name1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide
SMILESCCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)C4(C)CC4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CC#N)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CCOC)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(NC(=O)CC4CCCCN(C)C4=O)cc3)nn12
InChIInChI=1S/C31H40N6O3.C28H33FN4O2.C27H33FN4O3.C26H28FN5O2/c1-4-25-19-27(31(40)36-17-8-5-6-10-21(36)2)33-28-20-26(34-37(25)28)22-12-14-24(15-13-22)32-29(38)18-23-11-7-9-16-35(3)30(23)39;1-4-20-16-24(27(35)32-13-7-5-6-8-18(32)2)30-26-17-23(31-33(20)26)21-10-9-19(14-22(21)29)15-25(34)28(3)11-12-28;1-4-20-16-25(27(34)31-12-7-5-6-8-18(31)2)29-26-17-24(30-32(20)26)22-10-9-19(15-23(22)28)14-21(33)11-13-35-3;1-3-19-15-24(26(34)31-12-6-4-5-7-17(31)2)29-25-16-23(30-32(19)25)21-9-8-18(14-22(21)27)13-20(33)10-11-28/h12-15,19-21,23H,4-11,16-18H2,1-3H3,(H,32,38);9-10,14,16-18H,4-8,11-13,15H2,1-3H3;9-10,15-18H,4-8,11-14H2,1-3H3;8-9,14-17H,3-7,10,12-13H2,1-2H3
InChIKeyLRSVGYPITKTNRJ-UHFFFAOYSA-N
XLogP19.54
TPSA335.64 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001963.42
LogP ≤ 519.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide with MolForge

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Related Compounds

N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide
CID 157119937
1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide
CID 157521649
2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide
CID 158784884
4-Cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one
CID 158823660
[7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 158851984
[7-(Cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 160597400
2-Hydroxyethyl 2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]acetate;2-methoxyethyl 2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]acetate;(1-methylpyrrolidin-2-yl)methyl 2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]acetate;pyrrolidin-2-ylmethyl 2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]acetate
CID 160764947
4-Cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-4-(oxolan-2-yl)butan-2-one
CID 160916341
7-ethyl-2-[2-fluoro-4-[2-oxo-4-(oxolan-2-yl)butyl]phenyl]-N-methyl-N-pentan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]-4-(oxolan-2-yl)butan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-4-(oxolan-2-yl)butan-2-one;1-[4-[7-ethyl-5-(2-methylazocane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one
CID 161841019
N'-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]butanediamide;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyrrolidine-2,5-dione
CID 161985138

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide?
The IUPAC name of 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide (CID 159437308) is 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide is CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)C4(C)CC4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CC#N)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CCOC)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(NC(=O)CC4CCCCN(C)C4=O)cc3)nn12.
What is the InChIKey of 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide?
The InChIKey is LRSVGYPITKTNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O3.C28H33FN4O2.C27H33FN4O3.C26H28FN5O2/c1-4-25-19-27(31(40)36-17-8-5-6-10-21(36)2)33-28-20-26(34-37(25)28)22-12-14-24(15-13-22)32-29(38)18-23-11-7-9-16-35(3)30(23)39;1-4-20-16-24(27(35)32-13-7-5-6-8-18(32)2)30-26-17-23(31-33(20)26)21-10-9-19(14-22(21)29)15-25(34)28(3)11-12-28;1-4-20-16-25(27(34)31-12-7-5-6-8-18(31)2)29-26-17-24(30-32(20)26)22-10-9-19(15-23(22)28)14-21(33)11-13-35-3;1-3-19-15-24(26(34)31-12-6-4-5-7-17(31)2)29-25-16-23(30-32(19)25)21-9-8-18(14-22(21)27)13-20(33)10-11-28/h12-15,19-21,23H,4-11,16-18H2,1-3H3,(H,32,38);9-10,14,16-18H,4-8,11-13,15H2,1-3H3;9-10,15-18H,4-8,11-14H2,1-3H3;8-9,14-17H,3-7,10,12-13H2,1-2H3.
What are the key properties of 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide?
1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide has a molecular weight of 1963.42 g/mol, XLogP of 19.54, 26 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-methoxybutan-2-one;2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-(1-methylcyclopropyl)ethanone;4-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-oxobutanenitrile;N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-(1-methyl-2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 159437308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).