2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid

C93H88Br4F4N24O8 — CID 160806743

IUPAC2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
SMILESNc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccn4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=CCC=N4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=NC=CC4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=NC=CC4)nc3)cnn12
InChIInChI=1S/C24H22BrFN6O2.3C23H22BrFN6O2/c25-19-21(14-6-4-13(5-7-14)20(26)24(33)34)31-23-16(12-30-32(23)22(19)27)15-8-9-18(29-11-15)17-3-1-2-10-28-17;3*24-18-20(13-5-3-12(4-6-13)19(25)23(32)33)30-22-15(11-29-31(22)21(18)26)14-7-8-17(28-10-14)16-2-1-9-27-16/h1-3,8-14,20H,4-7,27H2,(H,33,34);2,7-13,19H,1,3-6,26H2,(H,32,33);2*1,7-13,19H,2-6,26H2,(H,32,33)
InChIKeySDUFYMHCCDIWRA-UHFFFAOYSA-N
MW2065.49 g/mol
LogP18.62
Rot. Bonds20

About 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid

2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid (PubChem CID 160806743) has the molecular formula C93H88Br4F4N24O8 and a molecular weight of 2065.49 g/mol. Its IUPAC name is 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
PubChem CID160806743
Molecular FormulaC93H88Br4F4N24O8
Molecular Weight2065.49 g/mol
Exact Mass2060.39
IUPAC Name2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
SMILESNc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccn4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=CCC=N4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=NC=CC4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=NC=CC4)nc3)cnn12
InChIInChI=1S/C24H22BrFN6O2.3C23H22BrFN6O2/c25-19-21(14-6-4-13(5-7-14)20(26)24(33)34)31-23-16(12-30-32(23)22(19)27)15-8-9-18(29-11-15)17-3-1-2-10-28-17;3*24-18-20(13-5-3-12(4-6-13)19(25)23(32)33)30-22-15(11-29-31(22)21(18)26)14-7-8-17(28-10-14)16-2-1-9-27-16/h1-3,8-14,20H,4-7,27H2,(H,33,34);2,7-13,19H,1,3-6,26H2,(H,32,33);2*1,7-13,19H,2-6,26H2,(H,32,33)
InChIKeySDUFYMHCCDIWRA-UHFFFAOYSA-N
XLogP18.62
TPSA475.57 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002065.49
LogP ≤ 518.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid with MolForge

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Related Compounds

4-[7-Amino-6-bromo-3-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 46945540
4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-fluorocyclohexane-1-carboxylic acid
CID 56848784
6-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylic acid
CID 67494452
4-[7-Amino-6-bromo-3-[6-(3-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 68071956
4-[7-Amino-6-bromo-3-[6-(3,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 68073227
4-[7-Amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 68073231
4-[7-Amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 70214224
2-[4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87130674
(2S)-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87130735
(2S)-2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87421846
(2S)-2-[4-[7-amino-6-bromo-3-(6-pyrimidin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87421879
2-[4-[7-Amino-6-bromo-3-(6-pyrimidin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87422713

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The IUPAC name of 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid (CID 160806743) is 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The canonical SMILES for 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid is Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccn4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=CCC=N4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=NC=CC4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(C4=NC=CC4)nc3)cnn12.
What is the InChIKey of 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The InChIKey is SDUFYMHCCDIWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrFN6O2.3C23H22BrFN6O2/c25-19-21(14-6-4-13(5-7-14)20(26)24(33)34)31-23-16(12-30-32(23)22(19)27)15-8-9-18(29-11-15)17-3-1-2-10-28-17;3*24-18-20(13-5-3-12(4-6-13)19(25)23(32)33)30-22-15(11-29-31(22)21(18)26)14-7-8-17(28-10-14)16-2-1-9-27-16/h1-3,8-14,20H,4-7,27H2,(H,33,34);2,7-13,19H,1,3-6,26H2,(H,32,33);2*1,7-13,19H,2-6,26H2,(H,32,33).
What are the key properties of 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid has a molecular weight of 2065.49 g/mol, XLogP of 18.62, 20 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;bis(2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid);2-[4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid is sourced from PubChem (CID 160806743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).