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

C20H17N5S — CID 154640005

IUPAC2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
SMILESCC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3nccs3)cc12
InChIInChI=1S/C20H17N5S/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)
InChIKeyKQSIZXSUUFBVNR-UHFFFAOYSA-N
MW359.46 g/mol
LogP5.35
Rot. Bonds3

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

2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole (PubChem CID 154640005) has the molecular formula C20H17N5S and a molecular weight of 359.46 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-thiazole.

Molecular Properties

Compound Name2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
PubChem CID154640005
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC Name2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
SMILESCC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3nccs3)cc12
InChIInChI=1S/C20H17N5S/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)
InChIKeyKQSIZXSUUFBVNR-UHFFFAOYSA-N
XLogP5.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.46
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-thiazole?
The IUPAC name of 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole (CID 154640005) is 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole.
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-thiazole?
The canonical SMILES for 2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3nccs3)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-thiazole?
The InChIKey is KQSIZXSUUFBVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/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-thiazole?
2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole has a molecular weight of 359.46 g/mol, XLogP of 5.35, 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-thiazole is sourced from PubChem (CID 154640005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).