N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H22N6O — CID 3113005

IUPACN-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C25H22N6O/c32-25(27-12-7-14-30-15-13-26-18-30)22-17-24-28-21(19-8-3-1-4-9-19)16-23(31(24)29-22)20-10-5-2-6-11-20/h1-6,8-11,13,15-18H,7,12,14H2,(H,27,32)
InChIKeyRIGHCDSORZCRDE-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.08
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3113005) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3113005
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C25H22N6O/c32-25(27-12-7-14-30-15-13-26-18-30)22-17-24-28-21(19-8-3-1-4-9-19)16-23(31(24)29-22)20-10-5-2-6-11-20/h1-6,8-11,13,15-18H,7,12,14H2,(H,27,32)
InChIKeyRIGHCDSORZCRDE-UHFFFAOYSA-N
XLogP4.08
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3113005) is N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCCn1ccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RIGHCDSORZCRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c32-25(27-12-7-14-30-15-13-26-18-30)22-17-24-28-21(19-8-3-1-4-9-19)16-23(31(24)29-22)20-10-5-2-6-11-20/h1-6,8-11,13,15-18H,7,12,14H2,(H,27,32).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3113005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).