(3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid

C24H27N9O3 — CID 177160365

IUPAC(3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ncc([C@H]3CCN(C(=O)O)C3)cn2)c2c(N)ncnc21
InChIInChI=1S/C24H27N9O3/c1-24(2,3)33-22-16(20(25)28-11-29-22)17(30-33)18-15(19(36-31-18)12-4-5-12)21-26-8-14(9-27-21)13-6-7-32(10-13)23(34)35/h8-9,11-13H,4-7,10H2,1-3H3,(H,34,35)(H2,25,28,29)/t13-/m0/s1
InChIKeySHAQDVLXAUPGOZ-ZDUSSCGKSA-N
MW489.54 g/mol
LogP3.62
Rot. Bonds4

About (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid

(3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid (PubChem CID 177160365) has the molecular formula C24H27N9O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid
PubChem CID177160365
Molecular FormulaC24H27N9O3
Molecular Weight489.54 g/mol
Exact Mass489.22
IUPAC Name(3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ncc([C@H]3CCN(C(=O)O)C3)cn2)c2c(N)ncnc21
InChIInChI=1S/C24H27N9O3/c1-24(2,3)33-22-16(20(25)28-11-29-22)17(30-33)18-15(19(36-31-18)12-4-5-12)21-26-8-14(9-27-21)13-6-7-32(10-13)23(34)35/h8-9,11-13H,4-7,10H2,1-3H3,(H,34,35)(H2,25,28,29)/t13-/m0/s1
InChIKeySHAQDVLXAUPGOZ-ZDUSSCGKSA-N
XLogP3.62
TPSA161.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic 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

CID 177160298
CID 177160298
2-[3-[[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]methyl]azetidine-1-carbonyl]oxyacetic acid
CID 177160341
1-tert-butyl-3-[5-cyclopropyl-4-(5-piperidin-4-yl-2-pyridinyl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177160559
ethane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[2-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopentyl-1,2-oxazol-4-yl]pyrimidin-5-yl]piperidine-1-carboxylate
CID 177160976
3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331397
3-[5-cyclopropyl-4-[4-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)pyrimidin-2-yl]-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 177160658
[2-[4-[(E)-3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluoro-N-propylanilino]prop-1-enoxy]-4-ethylpiperidin-1-yl]-2-oxoethyl] 4-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]piperidine-1-carboxylate
CID 177160826
2-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]ethyl (4S)-4-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]-3,3-dimethylpiperidine-1-carboxylate
CID 177160577
[4-[2-[4-[2,6-difluoro-4-(methylamino)phenyl]piperazin-1-yl]ethyl]cyclohexyl] 4-[2-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]piperidine-1-carboxylate
CID 177160335
2-[4-[4-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]triazol-1-yl]piperidine-1-carbonyl]oxyacetic acid
CID 177161013
1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177160431
[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-[(2S)-oxiran-2-yl]methanone
CID 122597709

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid (CID 177160365) is (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid is CC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ncc([C@H]3CCN(C(=O)O)C3)cn2)c2c(N)ncnc21.
What is the InChIKey of (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is SHAQDVLXAUPGOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H27N9O3/c1-24(2,3)33-22-16(20(25)28-11-29-22)17(30-33)18-15(19(36-31-18)12-4-5-12)21-26-8-14(9-27-21)13-6-7-32(10-13)23(34)35/h8-9,11-13H,4-7,10H2,1-3H3,(H,34,35)(H2,25,28,29)/t13-/m0/s1.
What are the key properties of (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid?
(3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 489.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 177160365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).