[5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid

C56H60Br2N12O9 — CID 159868070

IUPAC[5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid
SMILESCOc1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CC6CCC(C5)N6)nc34)cn2)cc1CO.COc1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CC6CCC(C5)N6C(=O)CO)nc34)cn2)cc1CO.O=C(O)CO
InChIInChI=1S/C28H29BrN6O4.C26H27BrN6O2.C2H4O3/c1-39-23-7-3-15(8-18(23)13-36)22-6-2-16(11-31-22)21-12-32-35-27(30)25(29)26(33-28(21)35)17-9-19-4-5-20(10-17)34(19)24(38)14-37;1-35-22-7-3-14(8-17(22)13-34)21-6-2-15(11-29-21)20-12-30-33-25(28)23(27)24(32-26(20)33)16-9-18-4-5-19(10-16)31-18;3-1-2(4)5/h2-3,6-8,11-12,17,19-20,36-37H,4-5,9-10,13-14,30H2,1H3;2-3,6-8,11-12,16,18-19,31,34H,4-5,9-10,13,28H2,1H3;3H,1H2,(H,4,5)
InChIKeyNRZGXCIVADOVIQ-UHFFFAOYSA-N
MW1204.98 g/mol
LogP6.90
Rot. Bonds12

About [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid

[5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid (PubChem CID 159868070) has the molecular formula C56H60Br2N12O9 and a molecular weight of 1204.98 g/mol. Its IUPAC name is [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid.

Molecular Properties

Compound Name[5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid
PubChem CID159868070
Molecular FormulaC56H60Br2N12O9
Molecular Weight1204.98 g/mol
Exact Mass1202.30
IUPAC Name[5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid
SMILESCOc1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CC6CCC(C5)N6)nc34)cn2)cc1CO.COc1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CC6CCC(C5)N6C(=O)CO)nc34)cn2)cc1CO.O=C(O)CO
InChIInChI=1S/C28H29BrN6O4.C26H27BrN6O2.C2H4O3/c1-39-23-7-3-15(8-18(23)13-36)22-6-2-16(11-31-22)21-12-32-35-27(30)25(29)26(33-28(21)35)17-9-19-4-5-20(10-17)34(19)24(38)14-37;1-35-22-7-3-14(8-17(22)13-34)21-6-2-15(11-29-21)20-12-30-33-25(28)23(27)24(32-26(20)33)16-9-18-4-5-19(10-16)31-18;3-1-2(4)5/h2-3,6-8,11-12,17,19-20,36-37H,4-5,9-10,13-14,30H2,1H3;2-3,6-8,11-12,16,18-19,31,34H,4-5,9-10,13,28H2,1H3;3H,1H2,(H,4,5)
InChIKeyNRZGXCIVADOVIQ-UHFFFAOYSA-N
XLogP6.90
TPSA307.22 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001204.98
LogP ≤ 56.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 157306123
(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 161506547
tert-butyl (1R,5S)-3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67294460
Tert-butyl 3-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-6-bromo-3-(6-(3-(hydroxymethyl)-4-methoxyphenyl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67294465
1-(3-(7-Amino-6-bromo-3-(6-(3-(hydroxymethyl)-4-methoxyphenyl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxyethanone
CID 67294471
1-[(1S,5R)-3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294487
1-[(1R,5S)-3-[7-amino-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294563
3-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 67294921
(2R)-1-[(1R,5S)-3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropan-1-one
CID 67295136
(2R)-1-[4-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 68073746
1-[3-[7-Amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 68272969
(2R)-1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropan-1-one
CID 68272972

Frequently Asked Questions

What is the IUPAC name of [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid?
The IUPAC name of [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid (CID 159868070) is [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid.
What is the SMILES notation for [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid?
The canonical SMILES for [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid is COc1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CC6CCC(C5)N6)nc34)cn2)cc1CO.COc1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CC6CCC(C5)N6C(=O)CO)nc34)cn2)cc1CO.O=C(O)CO.
What is the InChIKey of [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid?
The InChIKey is NRZGXCIVADOVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrN6O4.C26H27BrN6O2.C2H4O3/c1-39-23-7-3-15(8-18(23)13-36)22-6-2-16(11-31-22)21-12-32-35-27(30)25(29)26(33-28(21)35)17-9-19-4-5-20(10-17)34(19)24(38)14-37;1-35-22-7-3-14(8-17(22)13-34)21-6-2-15(11-29-21)20-12-30-33-25(28)23(27)24(32-26(20)33)16-9-18-4-5-19(10-16)31-18;3-1-2(4)5/h2-3,6-8,11-12,17,19-20,36-37H,4-5,9-10,13-14,30H2,1H3;2-3,6-8,11-12,16,18-19,31,34H,4-5,9-10,13,28H2,1H3;3H,1H2,(H,4,5).
What are the key properties of [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid?
[5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid has a molecular weight of 1204.98 g/mol, XLogP of 6.90, 12 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[7-amino-5-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-2-methoxyphenyl]methanol;1-[3-[7-amino-6-bromo-3-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone;2-hydroxyacetic acid is sourced from PubChem (CID 159868070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).