3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide

C26H30N8O2 — CID 135205110

IUPAC3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NC2(c3ccc(-c4ccnc5[nH]nc(N[C@@H]6CCNC6)c45)cc3)CC2)n1
InChIInChI=1S/C26H30N8O2/c1-25(2,3)24-30-23(36-34-24)22(35)31-26(10-11-26)16-6-4-15(5-7-16)18-9-13-28-20-19(18)21(33-32-20)29-17-8-12-27-14-17/h4-7,9,13,17,27H,8,10-12,14H2,1-3H3,(H,31,35)(H2,28,29,32,33)/t17-/m1/s1
InChIKeyMRLSWFYSJHIJCG-QGZVFWFLSA-N
MW486.58 g/mol
LogP3.50
Rot. Bonds6

About 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 135205110) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID135205110
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NC2(c3ccc(-c4ccnc5[nH]nc(N[C@@H]6CCNC6)c45)cc3)CC2)n1
InChIInChI=1S/C26H30N8O2/c1-25(2,3)24-30-23(36-34-24)22(35)31-26(10-11-26)16-6-4-15(5-7-16)18-9-13-28-20-19(18)21(33-32-20)29-17-8-12-27-14-17/h4-7,9,13,17,27H,8,10-12,14H2,1-3H3,(H,31,35)(H2,28,29,32,33)/t17-/m1/s1
InChIKeyMRLSWFYSJHIJCG-QGZVFWFLSA-N
XLogP3.50
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

4-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]cyclopropyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 135215969
5-tert-butyl-N-[1-[4-[3-[[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxamide
CID 135204767
5-tert-butyl-N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 135205283
3-tert-butyl-N-[1-[4-(3-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 135204418
5-ethyl-N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 135205555
3-tert-butyl-N-[[2-fluoro-4-[3-[[(3R,6S)-6-methyl-1-(morpholine-4-carbonyl)piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 135204817
N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135204311
3-tert-butyl-N-[[2-fluoro-4-[3-[2-(methylamino)ethylamino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 135205252
3-[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(4-methylphenyl)propan-1-one
CID 147720002
5-tert-butyl-N-[1-[4-[3-[[(3R)-1-formylpyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 135204645
5-tert-butyl-N-[(1S)-1-[4-[3-[[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 135204090
3-tert-butyl-N-[(1R)-1-[4-[3-[1-(dimethylcarbamoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 135204429

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide (CID 135205110) is 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NC2(c3ccc(-c4ccnc5[nH]nc(N[C@@H]6CCNC6)c45)cc3)CC2)n1.
What is the InChIKey of 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MRLSWFYSJHIJCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-25(2,3)24-30-23(36-34-24)22(35)31-26(10-11-26)16-6-4-15(5-7-16)18-9-13-28-20-19(18)21(33-32-20)29-17-8-12-27-14-17/h4-7,9,13,17,27H,8,10-12,14H2,1-3H3,(H,31,35)(H2,28,29,32,33)/t17-/m1/s1.
What are the key properties of 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide?
3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[1-[4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 135205110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).