5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one

C25H22N4O2 — CID 122656121

IUPAC5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccccc4)nn4c(OC5CCCC5)nccc34)ccc2N1
InChIInChI=1S/C25H22N4O2/c30-22-15-18-14-17(10-11-20(18)27-22)23-21-12-13-26-25(31-19-8-4-5-9-19)29(21)28-24(23)16-6-2-1-3-7-16/h1-3,6-7,10-14,19H,4-5,8-9,15H2,(H,27,30)
InChIKeySJPSHHNYZQJMSS-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.88
Rot. Bonds4

About 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one

5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one (PubChem CID 122656121) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one
PubChem CID122656121
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccccc4)nn4c(OC5CCCC5)nccc34)ccc2N1
InChIInChI=1S/C25H22N4O2/c30-22-15-18-14-17(10-11-20(18)27-22)23-21-12-13-26-25(31-19-8-4-5-9-19)29(21)28-24(23)16-6-2-1-3-7-16/h1-3,6-7,10-14,19H,4-5,8-9,15H2,(H,27,30)
InChIKeySJPSHHNYZQJMSS-UHFFFAOYSA-N
XLogP4.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one (CID 122656121) is 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(-c4ccccc4)nn4c(OC5CCCC5)nccc34)ccc2N1.
What is the InChIKey of 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one?
The InChIKey is SJPSHHNYZQJMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-22-15-18-14-17(10-11-20(18)27-22)23-21-12-13-26-25(31-19-8-4-5-9-19)29(21)28-24(23)16-6-2-1-3-7-16/h1-3,6-7,10-14,19H,4-5,8-9,15H2,(H,27,30).
What are the key properties of 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one?
5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one has a molecular weight of 410.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-cyclopentyloxy-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).