4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one

C25H27N5O — CID 5329469

IUPAC4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one
SMILESO=c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)ccn1CCCN1CCCCC1
InChIInChI=1S/C25H27N5O/c31-24-16-21(10-15-29(24)14-7-13-28-11-5-2-6-12-28)22-17-26-25-23(18-27-30(25)19-22)20-8-3-1-4-9-20/h1,3-4,8-10,15-19H,2,5-7,11-14H2
InChIKeyVSTRRFWOIASKIN-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.10
Rot. Bonds6

About 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one

4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one (PubChem CID 5329469) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one
PubChem CID5329469
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one
SMILESO=c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)ccn1CCCN1CCCCC1
InChIInChI=1S/C25H27N5O/c31-24-16-21(10-15-29(24)14-7-13-28-11-5-2-6-12-28)22-17-26-25-23(18-27-30(25)19-22)20-8-3-1-4-9-20/h1,3-4,8-10,15-19H,2,5-7,11-14H2
InChIKeyVSTRRFWOIASKIN-UHFFFAOYSA-N
XLogP4.10
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one?
The IUPAC name of 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one (CID 5329469) is 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one.
What is the SMILES notation for 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one?
The canonical SMILES for 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one is O=c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)ccn1CCCN1CCCCC1.
What is the InChIKey of 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one?
The InChIKey is VSTRRFWOIASKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c31-24-16-21(10-15-29(24)14-7-13-28-11-5-2-6-12-28)22-17-26-25-23(18-27-30(25)19-22)20-8-3-1-4-9-20/h1,3-4,8-10,15-19H,2,5-7,11-14H2.
What are the key properties of 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one?
4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one has a molecular weight of 413.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(3-piperidin-1-ylpropyl)pyridin-2-one is sourced from PubChem (CID 5329469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).