N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine

C24H23N9S — CID 117083214

IUPACN-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine
SMILESc1ccc(N2CCN(c3nc(NCc4cccnc4)c4ncn(-c5ccsc5)c4n3)CC2)nc1
InChIInChI=1S/C24H23N9S/c1-2-8-26-20(5-1)31-9-11-32(12-10-31)24-29-22(27-15-18-4-3-7-25-14-18)21-23(30-24)33(17-28-21)19-6-13-34-16-19/h1-8,13-14,16-17H,9-12,15H2,(H,27,29,30)
InChIKeyKGJKYIMAMWCRQA-UHFFFAOYSA-N
MW469.58 g/mol
LogP3.61
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine

N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine (PubChem CID 117083214) has the molecular formula C24H23N9S and a molecular weight of 469.58 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine
PubChem CID117083214
Molecular FormulaC24H23N9S
Molecular Weight469.58 g/mol
Exact Mass469.18
IUPAC NameN-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine
SMILESc1ccc(N2CCN(c3nc(NCc4cccnc4)c4ncn(-c5ccsc5)c4n3)CC2)nc1
InChIInChI=1S/C24H23N9S/c1-2-8-26-20(5-1)31-9-11-32(12-10-31)24-29-22(27-15-18-4-3-7-25-14-18)21-23(30-24)33(17-28-21)19-6-13-34-16-19/h1-8,13-14,16-17H,9-12,15H2,(H,27,29,30)
InChIKeyKGJKYIMAMWCRQA-UHFFFAOYSA-N
XLogP3.61
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine with MolForge

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Related Compounds

9-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117089389
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-(pyridin-3-ylmethyl)-9-thiophen-3-ylpurine-2,6-diamine
CID 117089901
N-(2-phenoxyethyl)-9-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117084685
N-benzyl-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117081803
9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080067
2-N-(pyridin-3-ylmethyl)-9-thiophen-3-yl-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117079553
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
CID 53245507
N-(1H-benzo[f]benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
CID 45100444
2-(1-benzothiophen-3-yl)-9-phenyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 117091216
6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
CID 117083688
6-N-(2-phenoxyethyl)-2-N-pyridin-2-yl-9-thiophen-3-ylpurine-2,6-diamine
CID 117093044
2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 140906921

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine (CID 117083214) is N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine is c1ccc(N2CCN(c3nc(NCc4cccnc4)c4ncn(-c5ccsc5)c4n3)CC2)nc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine?
The InChIKey is KGJKYIMAMWCRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9S/c1-2-8-26-20(5-1)31-9-11-32(12-10-31)24-29-22(27-15-18-4-3-7-25-14-18)21-23(30-24)33(17-28-21)19-6-13-34-16-19/h1-8,13-14,16-17H,9-12,15H2,(H,27,29,30).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine?
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine has a molecular weight of 469.58 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 117083214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).