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

C26H32N8O — CID 135215969

IUPAC4-[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
SMILESCC(C)(C)c1nc(CNC2(c3ccc(-c4ccnc5[nH]nc(N[C@@H]6CCNC6)c45)cc3)CC2)no1
InChIInChI=1S/C26H32N8O/c1-25(2,3)24-31-20(34-35-24)15-29-26(10-11-26)17-6-4-16(5-7-17)19-9-13-28-22-21(19)23(33-32-22)30-18-8-12-27-14-18/h4-7,9,13,18,27,29H,8,10-12,14-15H2,1-3H3,(H2,28,30,32,33)/t18-/m1/s1
InChIKeyZXQFDGOGHOJMDA-GOSISDBHSA-N
MW472.60 g/mol
LogP3.86
Rot. Bonds7

About 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

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 (PubChem CID 135215969) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID135215969
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name4-[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
SMILESCC(C)(C)c1nc(CNC2(c3ccc(-c4ccnc5[nH]nc(N[C@@H]6CCNC6)c45)cc3)CC2)no1
InChIInChI=1S/C26H32N8O/c1-25(2,3)24-31-20(34-35-24)15-29-26(10-11-26)17-6-4-16(5-7-17)19-9-13-28-22-21(19)23(33-32-22)30-18-8-12-27-14-18/h4-7,9,13,18,27,29H,8,10-12,14-15H2,1-3H3,(H2,28,30,32,33)/t18-/m1/s1
InChIKeyZXQFDGOGHOJMDA-GOSISDBHSA-N
XLogP3.86
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1nc(CNC2(c3ccc(-c4ccnc5[nH]nc(N[C@@H]6CCNC6)c45)cc3)CC2)no1.
What is the InChIKey of 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?
The InChIKey is ZXQFDGOGHOJMDA-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32N8O/c1-25(2,3)24-31-20(34-35-24)15-29-26(10-11-26)17-6-4-16(5-7-17)19-9-13-28-22-21(19)23(33-32-22)30-18-8-12-27-14-18/h4-7,9,13,18,27,29H,8,10-12,14-15H2,1-3H3,(H2,28,30,32,33)/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 472.60 g/mol, XLogP of 3.86, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135215969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).