(2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione

C112H97Br2N33O13 — CID 158235140

IUPAC(2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESCC(=O)c1c(C2CCC(N(C)C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.Cn1cc(-c2cnn3c(N)cc(N4CC5(C4)NC(=O)NC5=O)nc23)cn1.Nc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C29H32N6O3.C25H18BrN5O3.C23H16BrN5O3.C20H16N8O2.C15H15N9O2/c1-17(36)25-26(20-9-12-22(13-10-20)34(3)29(38)18(2)37)33-28-23(16-32-35(28)27(25)30)21-11-14-24(31-15-21)19-7-5-4-6-8-19;26-22-23(27)31-24(30-25(22)34-18-9-6-15(7-10-18)12-21(32)33)19(14-29-31)17-8-11-20(28-13-17)16-4-2-1-3-5-16;24-20-21(25)29-22(28-23(20)32-16-7-5-13(6-8-16)9-19(30)31)17(12-27-29)15-10-14-3-1-2-4-18(14)26-11-15;21-15-6-16(27-9-20(10-27)18(29)25-19(30)26-20)24-17-13(8-23-28(15)17)12-5-11-3-1-2-4-14(11)22-7-12;1-22-5-8(3-17-22)9-4-18-24-10(16)2-11(19-12(9)24)23-6-15(7-23)13(25)20-14(26)21-15/h4-8,11,14-16,18,20,22,37H,9-10,12-13,30H2,1-3H3;1-11,13-14H,12,27H2,(H,32,33);1-8,10-12H,9,25H2,(H,30,31);1-8H,9-10,21H2,(H2,25,26,29,30);2-5H,6-7,16H2,1H3,(H2,20,21,25,26)/t18-,20?,22?;;;;/m1..../s1
InChIKeyGEWIHRNFWAIZCQ-VFZINQKZSA-N
MW2273.03 g/mol
LogP14.07
Rot. Bonds21

About (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione

(2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione (PubChem CID 158235140) has the molecular formula C112H97Br2N33O13 and a molecular weight of 2273.03 g/mol. Its IUPAC name is (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name(2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
PubChem CID158235140
Molecular FormulaC112H97Br2N33O13
Molecular Weight2273.03 g/mol
Exact Mass2269.63
IUPAC Name(2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESCC(=O)c1c(C2CCC(N(C)C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.Cn1cc(-c2cnn3c(N)cc(N4CC5(C4)NC(=O)NC5=O)nc23)cn1.Nc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C29H32N6O3.C25H18BrN5O3.C23H16BrN5O3.C20H16N8O2.C15H15N9O2/c1-17(36)25-26(20-9-12-22(13-10-20)34(3)29(38)18(2)37)33-28-23(16-32-35(28)27(25)30)21-11-14-24(31-15-21)19-7-5-4-6-8-19;26-22-23(27)31-24(30-25(22)34-18-9-6-15(7-10-18)12-21(32)33)19(14-29-31)17-8-11-20(28-13-17)16-4-2-1-3-5-16;24-20-21(25)29-22(28-23(20)32-16-7-5-13(6-8-16)9-19(30)31)17(12-27-29)15-10-14-3-1-2-4-18(14)26-11-15;21-15-6-16(27-9-20(10-27)18(29)25-19(30)26-20)24-17-13(8-23-28(15)17)12-5-11-3-1-2-4-14(11)22-7-12;1-22-5-8(3-17-22)9-4-18-24-10(16)2-11(19-12(9)24)23-6-15(7-23)13(25)20-14(26)21-15/h4-8,11,14-16,18,20,22,37H,9-10,12-13,30H2,1-3H3;1-11,13-14H,12,27H2,(H,32,33);1-8,10-12H,9,25H2,(H,30,31);1-8H,9-10,21H2,(H2,25,26,29,30);2-5H,6-7,16H2,1H3,(H2,20,21,25,26)/t18-,20?,22?;;;;/m1..../s1
InChIKeyGEWIHRNFWAIZCQ-VFZINQKZSA-N
XLogP14.07
TPSA623.98 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds21
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002273.03
LogP ≤ 514.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
CID 158407142
4-Amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159067582
(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 159795786
1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;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-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159831251
1-(2-Methoxyethyl)-3-propan-2-yl-5-pyrimidin-2-ylindole;1-methyl-5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]indole-3-carboxylic acid;1-[1-methyl-5-(morpholin-4-ylmethyl)-7-propan-2-ylindol-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindol-1-yl]ethanone;1-[1-methyl-7-propan-2-yl-5-(pyrrolidin-1-ylmethyl)indol-3-yl]ethanone
CID 160044826

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The IUPAC name of (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione (CID 158235140) is (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione is CC(=O)c1c(C2CCC(N(C)C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.Cn1cc(-c2cnn3c(N)cc(N4CC5(C4)NC(=O)NC5=O)nc23)cn1.Nc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The InChIKey is GEWIHRNFWAIZCQ-VFZINQKZSA-N. The full InChI is InChI=1S/C29H32N6O3.C25H18BrN5O3.C23H16BrN5O3.C20H16N8O2.C15H15N9O2/c1-17(36)25-26(20-9-12-22(13-10-20)34(3)29(38)18(2)37)33-28-23(16-32-35(28)27(25)30)21-11-14-24(31-15-21)19-7-5-4-6-8-19;26-22-23(27)31-24(30-25(22)34-18-9-6-15(7-10-18)12-21(32)33)19(14-29-31)17-8-11-20(28-13-17)16-4-2-1-3-5-16;24-20-21(25)29-22(28-23(20)32-16-7-5-13(6-8-16)9-19(30)31)17(12-27-29)15-10-14-3-1-2-4-18(14)26-11-15;21-15-6-16(27-9-20(10-27)18(29)25-19(30)26-20)24-17-13(8-23-28(15)17)12-5-11-3-1-2-4-14(11)22-7-12;1-22-5-8(3-17-22)9-4-18-24-10(16)2-11(19-12(9)24)23-6-15(7-23)13(25)20-14(26)21-15/h4-8,11,14-16,18,20,22,37H,9-10,12-13,30H2,1-3H3;1-11,13-14H,12,27H2,(H,32,33);1-8,10-12H,9,25H2,(H,30,31);1-8H,9-10,21H2,(H2,25,26,29,30);2-5H,6-7,16H2,1H3,(H2,20,21,25,26)/t18-,20?,22?;;;;/m1..../s1.
What are the key properties of (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
(2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione has a molecular weight of 2273.03 g/mol, XLogP of 14.07, 21 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxy-N-methylpropanamide;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetic acid;2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione;2-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 158235140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).