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4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine

C23H27N5 — CID 154639567

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(CN3CCCCC3)cc12
InChIInChI=1S/C23H27N5/c1-15(2)21-18-12-16(14-28-10-4-3-5-11-28)6-7-20(18)26-22(21)17-8-9-24-23-19(17)13-25-27-23/h6-9,12-13,15,26H,3-5,10-11,14H2,1-2H3,(H,24,25,27)
InChIKeyIBTFDGFDHMDFRO-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.22
Rot. Bonds4

About 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine

4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 154639567) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID154639567
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(CN3CCCCC3)cc12
InChIInChI=1S/C23H27N5/c1-15(2)21-18-12-16(14-28-10-4-3-5-11-28)6-7-20(18)26-22(21)17-8-9-24-23-19(17)13-25-27-23/h6-9,12-13,15,26H,3-5,10-11,14H2,1-2H3,(H,24,25,27)
InChIKeyIBTFDGFDHMDFRO-UHFFFAOYSA-N
XLogP5.22
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (CID 154639567) is 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(CN3CCCCC3)cc12.
What is the InChIKey of 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is IBTFDGFDHMDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-15(2)21-18-12-16(14-28-10-4-3-5-11-28)6-7-20(18)26-22(21)17-8-9-24-23-19(17)13-25-27-23/h6-9,12-13,15,26H,3-5,10-11,14H2,1-2H3,(H,24,25,27).
What are the key properties of 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 373.50 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 154639567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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