N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide

C26H27Cl2N7O — CID 146257109

IUPACN-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccncc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H27Cl2N7O/c1-2-3-4-22(36)32-18-10-13-34(14-11-18)25-23-26(31-16-30-25)35(19-7-5-17(27)6-8-19)24(33-23)20-9-12-29-15-21(20)28/h5-9,12,15-16,18H,2-4,10-11,13-14H2,1H3,(H,32,36)
InChIKeyOFOSEEPMBSZWCU-UHFFFAOYSA-N
MW524.46 g/mol
LogP5.46
Rot. Bonds7

About N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide

N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide (PubChem CID 146257109) has the molecular formula C26H27Cl2N7O and a molecular weight of 524.46 g/mol. Its IUPAC name is N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide
PubChem CID146257109
Molecular FormulaC26H27Cl2N7O
Molecular Weight524.46 g/mol
Exact Mass523.17
IUPAC NameN-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccncc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H27Cl2N7O/c1-2-3-4-22(36)32-18-10-13-34(14-11-18)25-23-26(31-16-30-25)35(19-7-5-17(27)6-8-19)24(33-23)20-9-12-29-15-21(20)28/h5-9,12,15-16,18H,2-4,10-11,13-14H2,1H3,(H,32,36)
InChIKeyOFOSEEPMBSZWCU-UHFFFAOYSA-N
XLogP5.46
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]benzamide
CID 71455551
cyclobutyl N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]carbamate
CID 155565779
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzamide
CID 155547150
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclopentylpiperazine-1-carboxamide
CID 135156347
N-[1-[8-(2-chlorophenyl)-9-(6-methyl-3-pyridinyl)purin-6-yl]piperidin-4-yl]benzamide
CID 158255251
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea
CID 135156216
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 72713633
6-(4-butylsulfonylpiperazin-1-yl)-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine
CID 135156241
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-[6-(difluoromethoxy)-3-pyridinyl]urea
CID 135156251
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-propylpiperidine-4-carboxamide
CID 58154389
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-propylpiperidine-4-carboxamide;hydrochloride
CID 123899657
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-phenylpiperidin-4-yl]pentan-2-one
CID 159113090

Frequently Asked Questions

What is the IUPAC name of N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide?
The IUPAC name of N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide (CID 146257109) is N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide?
The canonical SMILES for N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide is CCCCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccncc2Cl)n3-c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide?
The InChIKey is OFOSEEPMBSZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N7O/c1-2-3-4-22(36)32-18-10-13-34(14-11-18)25-23-26(31-16-30-25)35(19-7-5-17(27)6-8-19)24(33-23)20-9-12-29-15-21(20)28/h5-9,12,15-16,18H,2-4,10-11,13-14H2,1H3,(H,32,36).
What are the key properties of N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide?
N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide has a molecular weight of 524.46 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[9-(4-chlorophenyl)-8-(3-chloro-4-pyridinyl)purin-6-yl]piperidin-4-yl]pentanamide is sourced from PubChem (CID 146257109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).