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

C25H32N10 — CID 68672770

IUPAC1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine
SMILESCCN1CCC(Nc2ccc(N(C)c3nc(N4CCc5nc[nH]c5C4)c4[nH]cnc4n3)cc2)CC1
InChIInChI=1S/C25H32N10/c1-3-34-11-8-18(9-12-34)30-17-4-6-19(7-5-17)33(2)25-31-23-22(28-16-29-23)24(32-25)35-13-10-20-21(14-35)27-15-26-20/h4-7,15-16,18,30H,3,8-14H2,1-2H3,(H,26,27)(H,28,29,31,32)
InChIKeyHPYMJUFFFBDMDI-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.30
Rot. Bonds6

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

1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine (PubChem CID 68672770) has the molecular formula C25H32N10 and a molecular weight of 472.60 g/mol. Its IUPAC name is 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine
PubChem CID68672770
Molecular FormulaC25H32N10
Molecular Weight472.60 g/mol
Exact Mass472.28
IUPAC Name1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine
SMILESCCN1CCC(Nc2ccc(N(C)c3nc(N4CCc5nc[nH]c5C4)c4[nH]cnc4n3)cc2)CC1
InChIInChI=1S/C25H32N10/c1-3-34-11-8-18(9-12-34)30-17-4-6-19(7-5-17)33(2)25-31-23-22(28-16-29-23)24(32-25)35-13-10-20-21(14-35)27-15-26-20/h4-7,15-16,18,30H,3,8-14H2,1-2H3,(H,26,27)(H,28,29,31,32)
InChIKeyHPYMJUFFFBDMDI-UHFFFAOYSA-N
XLogP3.30
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine?
The IUPAC name of 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine (CID 68672770) is 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine?
The canonical SMILES for 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine is CCN1CCC(Nc2ccc(N(C)c3nc(N4CCc5nc[nH]c5C4)c4[nH]cnc4n3)cc2)CC1.
What is the InChIKey of 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine?
The InChIKey is HPYMJUFFFBDMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N10/c1-3-34-11-8-18(9-12-34)30-17-4-6-19(7-5-17)33(2)25-31-23-22(28-16-29-23)24(32-25)35-13-10-20-21(14-35)27-15-26-20/h4-7,15-16,18,30H,3,8-14H2,1-2H3,(H,26,27)(H,28,29,31,32).
What are the key properties of 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine?
1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine has a molecular weight of 472.60 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethylpiperidin-4-yl)-4-N-methyl-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 68672770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).