4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine

C25H22N6 — CID 163296473

IUPAC4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine
SMILESNc1cc(-c2cnn3cc(-c4ccc(N5CCNC5)cc4)cnc23)c2ccccc2c1
InChIInChI=1S/C25H22N6/c26-20-11-18-3-1-2-4-22(18)23(12-20)24-14-29-31-15-19(13-28-25(24)31)17-5-7-21(8-6-17)30-10-9-27-16-30/h1-8,11-15,27H,9-10,16,26H2
InChIKeyLNKJHEJXGQRLFS-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.17
Rot. Bonds3

About 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine

4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine (PubChem CID 163296473) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine.

Molecular Properties

Compound Name4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine
PubChem CID163296473
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC Name4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine
SMILESNc1cc(-c2cnn3cc(-c4ccc(N5CCNC5)cc4)cnc23)c2ccccc2c1
InChIInChI=1S/C25H22N6/c26-20-11-18-3-1-2-4-22(18)23(12-20)24-14-29-31-15-19(13-28-25(24)31)17-5-7-21(8-6-17)30-10-9-27-16-30/h1-8,11-15,27H,9-10,16,26H2
InChIKeyLNKJHEJXGQRLFS-UHFFFAOYSA-N
XLogP4.17
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845
N-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]sulfanylmethanamine
CID 167058498
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 118664711
ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine
CID 144728106
N-methyl-1-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethenamine
CID 167566973
N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide
CID 140797509
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-7-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one
CID 166500893
7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
3-(3,4-dimethoxy-5-methylphenyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 130188353
2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464241
4-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline
CID 123842835
ethane;1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-1,4-azaborinane-4-carbonitrile
CID 144728039

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine?
The IUPAC name of 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine (CID 163296473) is 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine.
What is the SMILES notation for 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine?
The canonical SMILES for 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine is Nc1cc(-c2cnn3cc(-c4ccc(N5CCNC5)cc4)cnc23)c2ccccc2c1.
What is the InChIKey of 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine?
The InChIKey is LNKJHEJXGQRLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c26-20-11-18-3-1-2-4-22(18)23(12-20)24-14-29-31-15-19(13-28-25(24)31)17-5-7-21(8-6-17)30-10-9-27-16-30/h1-8,11-15,27H,9-10,16,26H2.
What are the key properties of 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine?
4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine has a molecular weight of 406.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine is sourced from PubChem (CID 163296473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).