5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C22H26N6 — CID 4890044

IUPAC5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H26N6/c1-22(2,3)19-14-20(24-10-7-12-27-13-11-23-16-27)28-21(26-19)18(15-25-28)17-8-5-4-6-9-17/h4-6,8-9,11,13-16,24H,7,10,12H2,1-3H3
InChIKeyYPKOXFCWPQFTJD-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.39
Rot. Bonds6

About 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4890044) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4890044
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H26N6/c1-22(2,3)19-14-20(24-10-7-12-27-13-11-23-16-27)28-21(26-19)18(15-25-28)17-8-5-4-6-9-17/h4-6,8-9,11,13-16,24H,7,10,12H2,1-3H3
InChIKeyYPKOXFCWPQFTJD-UHFFFAOYSA-N
XLogP4.39
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.39
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 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4890044) is 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YPKOXFCWPQFTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-22(2,3)19-14-20(24-10-7-12-27-13-11-23-16-27)28-21(26-19)18(15-25-28)17-8-5-4-6-9-17/h4-6,8-9,11,13-16,24H,7,10,12H2,1-3H3.
What are the key properties of 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 374.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(3-imidazol-1-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4890044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).