4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C19H20N6O — CID 136579000

IUPAC4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc2[nH]cc(C3CCN(c4ncnc5[nH]ncc45)CC3)c2c1
InChIInChI=1S/C19H20N6O/c1-26-13-2-3-17-14(8-13)15(9-20-17)12-4-6-25(7-5-12)19-16-10-23-24-18(16)21-11-22-19/h2-3,8-12,20H,4-7H2,1H3,(H,21,22,23,24)
InChIKeyWUJHRFRBGPBFFB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.23
Rot. Bonds3

About 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 136579000) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID136579000
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc2[nH]cc(C3CCN(c4ncnc5[nH]ncc45)CC3)c2c1
InChIInChI=1S/C19H20N6O/c1-26-13-2-3-17-14(8-13)15(9-20-17)12-4-6-25(7-5-12)19-16-10-23-24-18(16)21-11-22-19/h2-3,8-12,20H,4-7H2,1H3,(H,21,22,23,24)
InChIKeyWUJHRFRBGPBFFB-UHFFFAOYSA-N
XLogP3.23
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 136579000) is 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is COc1ccc2[nH]cc(C3CCN(c4ncnc5[nH]ncc45)CC3)c2c1.
What is the InChIKey of 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is WUJHRFRBGPBFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-26-13-2-3-17-14(8-13)15(9-20-17)12-4-6-25(7-5-12)19-16-10-23-24-18(16)21-11-22-19/h2-3,8-12,20H,4-7H2,1H3,(H,21,22,23,24).
What are the key properties of 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 348.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 136579000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).