5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C24H25N7 — CID 166529393

IUPAC5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNC1CN(c2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)C1
InChIInChI=1S/C24H25N7/c25-19-14-30(15-19)23-11-22(31-24(29-23)20(13-28-31)17-8-9-17)27-12-16-4-6-18(7-5-16)21-3-1-2-10-26-21/h1-7,10-11,13,17,19,27H,8-9,12,14-15,25H2
InChIKeyVHNBDHILEQNOGQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.43
Rot. Bonds6

About 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 166529393) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID166529393
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNC1CN(c2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)C1
InChIInChI=1S/C24H25N7/c25-19-14-30(15-19)23-11-22(31-24(29-23)20(13-28-31)17-8-9-17)27-12-16-4-6-18(7-5-16)21-3-1-2-10-26-21/h1-7,10-11,13,17,19,27H,8-9,12,14-15,25H2
InChIKeyVHNBDHILEQNOGQ-UHFFFAOYSA-N
XLogP3.43
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 166529393) is 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is NC1CN(c2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)C1.
What is the InChIKey of 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VHNBDHILEQNOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c25-19-14-30(15-19)23-11-22(31-24(29-23)20(13-28-31)17-8-9-17)27-12-16-4-6-18(7-5-16)21-3-1-2-10-26-21/h1-7,10-11,13,17,19,27H,8-9,12,14-15,25H2.
What are the key properties of 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 411.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 166529393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).