N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline

C21H16N4OS — CID 91297961

IUPACN-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline
SMILESc1cc(NCc2ccco2)cc(-c2ccnc3c(-c4ccsc4)cnn23)c1
InChIInChI=1S/C21H16N4OS/c1-3-15(11-17(4-1)23-12-18-5-2-9-26-18)20-6-8-22-21-19(13-24-25(20)21)16-7-10-27-14-16/h1-11,13-14,23H,12H2
InChIKeyYPURNTAQYQCDOR-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.33
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline

N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline (PubChem CID 91297961) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline
PubChem CID91297961
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline
SMILESc1cc(NCc2ccco2)cc(-c2ccnc3c(-c4ccsc4)cnn23)c1
InChIInChI=1S/C21H16N4OS/c1-3-15(11-17(4-1)23-12-18-5-2-9-26-18)20-6-8-22-21-19(13-24-25(20)21)16-7-10-27-14-16/h1-11,13-14,23H,12H2
InChIKeyYPURNTAQYQCDOR-UHFFFAOYSA-N
XLogP5.33
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Eed226
CID 123132228
N-(2-Furylmethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220776
10-[3-(4-Aminophenyl)propyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10904839
4-(Furan-2-yl)-10-[2-[4-(6-methyl-3-pyridinyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568316
4-(furan-2-yl)-11-methyl-N-[(1S)-1-phenylethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 71452056
N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1101933
2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125392
2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125423
2-Furan-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10192937
4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-2-benzo[b]thiophen-3-yl-but-3-yn-2-ol
CID 11281058
N-(2-Furylmethyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-E][1,2,3]triazolo[1,5-A]pyrimidin-5-YL}amine
CID 20901125
N-{3-[(3,4-Dimethylphenyl)sulfonyl]thieno[2,3-E][1,2,3]triazolo[1,5-A]pyrimidin-5-YL}-N-(2-furylmethyl)amine
CID 20901136

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline (CID 91297961) is N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline is c1cc(NCc2ccco2)cc(-c2ccnc3c(-c4ccsc4)cnn23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline?
The InChIKey is YPURNTAQYQCDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c1-3-15(11-17(4-1)23-12-18-5-2-9-26-18)20-6-8-22-21-19(13-24-25(20)21)16-7-10-27-14-16/h1-11,13-14,23H,12H2.
What are the key properties of N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline?
N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline has a molecular weight of 372.45 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline is sourced from PubChem (CID 91297961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).