2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate

C110H104Br5N33O5S — CID 159248382

IUPAC2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
SMILESCC(C)(O)C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)C1(C)CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(N2CCN3C(=O)CCC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCSCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCc3nc[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H25BrN6O2.C23H25BrN6O.C22H17BrN8O.C22H20BrN7O.C19H17BrN6S/c1-3-33-23(32)24(2)9-6-10-30(14-24)22-19(25)20(26)31-21(29-22)17(13-28-31)16-11-15-7-4-5-8-18(15)27-12-16;1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15;23-18-19(24)31-20(14(9-28-31)13-7-12-3-1-2-4-16(12)25-8-13)29-21(18)30-6-5-17-15(10-30)22(32)27-11-26-17;23-19-20(24)30-21(27-22(19)28-7-8-29-15(12-28)5-6-18(29)31)16(11-26-30)14-9-13-3-1-2-4-17(13)25-10-14;20-16-17(21)26-18(24-19(16)25-5-7-27-8-6-25)14(11-23-26)13-9-12-3-1-2-4-15(12)22-10-13/h4-5,7-8,11-13H,3,6,9-10,14,26H2,1-2H3;3-6,11-13,16,31H,7-10,25H2,1-2H3;1-4,7-9,11H,5-6,10,24H2,(H,26,27,32);1-4,9-11,15H,5-8,12,24H2;1-4,9-11H,5-8,21H2
InChIKeyKUYVMPMENUXKFZ-UHFFFAOYSA-N
MW2399.85 g/mol
LogP18.61
Rot. Bonds13

About 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate

2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate (PubChem CID 159248382) has the molecular formula C110H104Br5N33O5S and a molecular weight of 2399.85 g/mol. Its IUPAC name is 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
PubChem CID159248382
Molecular FormulaC110H104Br5N33O5S
Molecular Weight2399.85 g/mol
Exact Mass2393.45
IUPAC Name2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
SMILESCC(C)(O)C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)C1(C)CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(N2CCN3C(=O)CCC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCSCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCc3nc[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H25BrN6O2.C23H25BrN6O.C22H17BrN8O.C22H20BrN7O.C19H17BrN6S/c1-3-33-23(32)24(2)9-6-10-30(14-24)22-19(25)20(26)31-21(29-22)17(13-28-31)16-11-15-7-4-5-8-18(15)27-12-16;1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15;23-18-19(24)31-20(14(9-28-31)13-7-12-3-1-2-4-16(12)25-8-13)29-21(18)30-6-5-17-15(10-30)22(32)27-11-26-17;23-19-20(24)30-21(27-22(19)28-7-8-29-15(12-28)5-6-18(29)31)16(11-26-30)14-9-13-3-1-2-4-17(13)25-10-14;20-16-17(21)26-18(24-19(16)25-5-7-27-8-6-25)14(11-23-26)13-9-12-3-1-2-4-15(12)22-10-13/h4-5,7-8,11-13H,3,6,9-10,14,26H2,1-2H3;3-6,11-13,16,31H,7-10,25H2,1-2H3;1-4,7-9,11H,5-6,10,24H2,(H,26,27,32);1-4,9-11,15H,5-8,12,24H2;1-4,9-11H,5-8,21H2
InChIKeyKUYVMPMENUXKFZ-UHFFFAOYSA-N
XLogP18.61
TPSA474.29 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds13
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002399.85
LogP ≤ 518.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate with MolForge

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Related Compounds

1-[4-[(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]ethanone;6-bromo-5-[[(4,4-difluorocyclohexyl)amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazine-1-carboxylate
CID 162077872
2-[4-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-2-oxoacetic acid;bis(3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-1-carbaldehyde);6-bromo-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-oxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157272594
4-[7-Amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-pyridin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 157468684
1-Acetyl-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;2-[1-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxamide;methyl 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoate
CID 157538517
N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;(2R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate
CID 157732050
(2R)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158041394
4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158622621
2-[1-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
CID 158774552
[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane
CID 158785231
N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate
CID 158838469
1-[4-[[7-Amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 159067190
[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-3-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159111534

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?
The IUPAC name of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate (CID 159248382) is 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate.
What is the SMILES notation for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?
The canonical SMILES for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate is CC(C)(O)C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)C1(C)CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(N2CCN3C(=O)CCC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCSCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCc3nc[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?
The InChIKey is KUYVMPMENUXKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O2.C23H25BrN6O.C22H17BrN8O.C22H20BrN7O.C19H17BrN6S/c1-3-33-23(32)24(2)9-6-10-30(14-24)22-19(25)20(26)31-21(29-22)17(13-28-31)16-11-15-7-4-5-8-18(15)27-12-16;1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15;23-18-19(24)31-20(14(9-28-31)13-7-12-3-1-2-4-16(12)25-8-13)29-21(18)30-6-5-17-15(10-30)22(32)27-11-26-17;23-19-20(24)30-21(27-22(19)28-7-8-29-15(12-28)5-6-18(29)31)16(11-26-30)14-9-13-3-1-2-4-17(13)25-10-14;20-16-17(21)26-18(24-19(16)25-5-7-27-8-6-25)14(11-23-26)13-9-12-3-1-2-4-15(12)22-10-13/h4-5,7-8,11-13H,3,6,9-10,14,26H2,1-2H3;3-6,11-13,16,31H,7-10,25H2,1-2H3;1-4,7-9,11H,5-6,10,24H2,(H,26,27,32);1-4,9-11,15H,5-8,12,24H2;1-4,9-11H,5-8,21H2.
What are the key properties of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?
2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate has a molecular weight of 2399.85 g/mol, XLogP of 18.61, 13 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 159248382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).