4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine

C25H33N10+ — CID 123577600

IUPAC4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine
SMILESCCN1CCC(N(C)c2ccc(Nc3nc4nc[nH]c4c(N4CCc5nc[nH]c5C4)[nH+]3)cc2)CC1
InChIInChI=1S/C25H32N10/c1-3-34-11-8-19(9-12-34)33(2)18-6-4-17(5-7-18)30-25-31-23-22(28-16-29-23)24(32-25)35-13-10-20-21(14-35)27-15-26-20/h4-7,15-16,19H,3,8-14H2,1-2H3,(H,26,27)(H2,28,29,30,31,32)/p+1
InChIKeyMOPNCUSEYBJRGU-UHFFFAOYSA-O
MW473.61 g/mol
LogP2.72
Rot. Bonds6

About 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine

4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine (PubChem CID 123577600) has the molecular formula C25H33N10+ and a molecular weight of 473.61 g/mol. Its IUPAC name is 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine
PubChem CID123577600
Molecular FormulaC25H33N10+
Molecular Weight473.61 g/mol
Exact Mass473.29
IUPAC Name4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine
SMILESCCN1CCC(N(C)c2ccc(Nc3nc4nc[nH]c4c(N4CCc5nc[nH]c5C4)[nH+]3)cc2)CC1
InChIInChI=1S/C25H32N10/c1-3-34-11-8-19(9-12-34)33(2)18-6-4-17(5-7-18)30-25-31-23-22(28-16-29-23)24(32-25)35-13-10-20-21(14-35)27-15-26-20/h4-7,15-16,19H,3,8-14H2,1-2H3,(H,26,27)(H2,28,29,30,31,32)/p+1
InChIKeyMOPNCUSEYBJRGU-UHFFFAOYSA-O
XLogP2.72
TPSA106.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine with MolForge

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Related Compounds

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CID 210332
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
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Ruserontinib
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N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
CID 54760383
9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
CID 54761307
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
7H-Adenine, N-(p-fluorophenyl)-
CID 51998
N-purin-6-ylaniline
CID 71029
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
N*6*-Cyclohexyl-N*2*-phenyl-9H-purine-2,6-diamine
CID 11243768

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine (CID 123577600) is 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine is CCN1CCC(N(C)c2ccc(Nc3nc4nc[nH]c4c(N4CCc5nc[nH]c5C4)[nH+]3)cc2)CC1.
What is the InChIKey of 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine?
The InChIKey is MOPNCUSEYBJRGU-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H32N10/c1-3-34-11-8-19(9-12-34)33(2)18-6-4-17(5-7-18)30-25-31-23-22(28-16-29-23)24(32-25)35-13-10-20-21(14-35)27-15-26-20/h4-7,15-16,19H,3,8-14H2,1-2H3,(H,26,27)(H2,28,29,30,31,32)/p+1.
What are the key properties of 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine?
4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine has a molecular weight of 473.61 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-1-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-1-ium-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 123577600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).