2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole

C20H17N5O — CID 175042525

IUPAC2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole
SMILESCC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3ncco3)cc12
InChIInChI=1S/C20H17N5O/c1-11(2)17-14-9-12(20-22-7-8-26-20)3-4-16(14)24-18(17)13-5-6-21-19-15(13)10-23-25-19/h3-11,24H,1-2H3,(H,21,23,25)
InChIKeyAZGMOTHMMGJOES-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.88
Rot. Bonds3

About 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole

2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole (PubChem CID 175042525) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole
PubChem CID175042525
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole
SMILESCC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3ncco3)cc12
InChIInChI=1S/C20H17N5O/c1-11(2)17-14-9-12(20-22-7-8-26-20)3-4-16(14)24-18(17)13-5-6-21-19-15(13)10-23-25-19/h3-11,24H,1-2H3,(H,21,23,25)
InChIKeyAZGMOTHMMGJOES-UHFFFAOYSA-N
XLogP4.88
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 154639567
1-[6-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]pyrimidin-4-yl]piperidin-4-amine
CID 154640013
4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 151530371
2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 142594342
4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 142594191
2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 142594305
4-(6-propan-2-yl-3-pyridinyl)-1H-pyrazolo[3,4-b]pyridine
CID 158268219
4-[2-oxo-2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethyl]piperazin-2-one
CID 142594746
4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 151633639
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 155225982
N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 154639968
2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
CID 154640027

Frequently Asked Questions

What is the IUPAC name of 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole (CID 175042525) is 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3ncco3)cc12.
What is the InChIKey of 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole?
The InChIKey is AZGMOTHMMGJOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-11(2)17-14-9-12(20-22-7-8-26-20)3-4-16(14)24-18(17)13-5-6-21-19-15(13)10-23-25-19/h3-11,24H,1-2H3,(H,21,23,25).
What are the key properties of 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole?
2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole has a molecular weight of 343.39 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole is sourced from PubChem (CID 175042525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).