4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide

C23H21Cl2N7O — CID 10480380

IUPAC4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H21Cl2N7O/c24-14-5-7-15(8-6-14)32-19(16-3-1-2-4-17(16)25)30-18-20(28-13-29-21(18)32)31-11-9-23(27,10-12-31)22(26)33/h1-8,13H,9-12,27H2,(H2,26,33)
InChIKeyYBQGLTGAHBCMME-UHFFFAOYSA-N
MW482.38 g/mol
LogP3.57
Rot. Bonds4

About 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide

4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide (PubChem CID 10480380) has the molecular formula C23H21Cl2N7O and a molecular weight of 482.38 g/mol. Its IUPAC name is 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide
PubChem CID10480380
Molecular FormulaC23H21Cl2N7O
Molecular Weight482.38 g/mol
Exact Mass481.12
IUPAC Name4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H21Cl2N7O/c24-14-5-7-15(8-6-14)32-19(16-3-1-2-4-17(16)25)30-18-20(28-13-29-21(18)32)31-11-9-23(27,10-12-31)22(26)33/h1-8,13H,9-12,27H2,(H2,26,33)
InChIKeyYBQGLTGAHBCMME-UHFFFAOYSA-N
XLogP3.57
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Diphenyl purine derivative 2
CID 72713199
Otenabant hydrochloride
CID 16223963
Diphenyl purine derivative 4
CID 72712999
Diphenyl purine derivative 5
CID 72713196
Diphenyl purine derivative 3
CID 72713197
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190877
Diphenyl purine derivative 1
CID 71714624
9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)-9H-purin-6-amine
CID 25190876
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190878
N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 67387753
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzamide
CID 71455551

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide (CID 10480380) is 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide is NC(=O)C1(N)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide?
The InChIKey is YBQGLTGAHBCMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N7O/c24-14-5-7-15(8-6-14)32-19(16-3-1-2-4-17(16)25)30-18-20(28-13-29-21(18)32)31-11-9-23(27,10-12-31)22(26)33/h1-8,13H,9-12,27H2,(H2,26,33).
What are the key properties of 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide?
4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 10480380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).