1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine

C25H25N7 — CID 174025637

IUPAC1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine
SMILESNC(=C/C=N/c1cc(N2CCCCC2)n2nc(-c3ccccn3)cc2n1)c1ccccc1
InChIInChI=1S/C25H25N7/c26-20(19-9-3-1-4-10-19)12-14-28-23-18-25(31-15-7-2-8-16-31)32-24(29-23)17-22(30-32)21-11-5-6-13-27-21/h1,3-6,9-14,17-18H,2,7-8,15-16,26H2/b20-12?,28-14+
InChIKeyYQPWSQKHXCTLLZ-YDRRHDMGSA-N
MW423.52 g/mol
LogP4.48
Rot. Bonds5

About 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine

1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine (PubChem CID 174025637) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine.

Molecular Properties

Compound Name1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine
PubChem CID174025637
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine
SMILESNC(=C/C=N/c1cc(N2CCCCC2)n2nc(-c3ccccn3)cc2n1)c1ccccc1
InChIInChI=1S/C25H25N7/c26-20(19-9-3-1-4-10-19)12-14-28-23-18-25(31-15-7-2-8-16-31)32-24(29-23)17-22(30-32)21-11-5-6-13-27-21/h1,3-6,9-14,17-18H,2,7-8,15-16,26H2/b20-12?,28-14+
InChIKeyYQPWSQKHXCTLLZ-YDRRHDMGSA-N
XLogP4.48
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064373
7-piperidin-1-yl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18681566
azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 53175345
(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
CID 53040610
benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123256118
N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 46378584
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline
CID 91938128
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
CID 51057895
4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
CID 91938127
(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123271449
(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123590757

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine?
The IUPAC name of 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine (CID 174025637) is 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine.
What is the SMILES notation for 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine?
The canonical SMILES for 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine is NC(=C/C=N/c1cc(N2CCCCC2)n2nc(-c3ccccn3)cc2n1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine?
The InChIKey is YQPWSQKHXCTLLZ-YDRRHDMGSA-N. The full InChI is InChI=1S/C25H25N7/c26-20(19-9-3-1-4-10-19)12-14-28-23-18-25(31-15-7-2-8-16-31)32-24(29-23)17-22(30-32)21-11-5-6-13-27-21/h1,3-6,9-14,17-18H,2,7-8,15-16,26H2/b20-12?,28-14+.
What are the key properties of 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine?
1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine has a molecular weight of 423.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(7-piperidin-1-yl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)iminoprop-1-en-1-amine is sourced from PubChem (CID 174025637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).