N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide

C22H27N7O — CID 11531550

IUPACN-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide
SMILESCCN1CCN(c2ncnc3c2ncn3-c2cc(C(=O)NC3CC3)ccc2C)CC1
InChIInChI=1S/C22H27N7O/c1-3-27-8-10-28(11-9-27)20-19-21(24-13-23-20)29(14-25-19)18-12-16(5-4-15(18)2)22(30)26-17-6-7-17/h4-5,12-14,17H,3,6-11H2,1-2H3,(H,26,30)
InChIKeyZVDFLWRVRDVLIS-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.16
Rot. Bonds5

About N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide

N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide (PubChem CID 11531550) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide
PubChem CID11531550
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC NameN-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide
SMILESCCN1CCN(c2ncnc3c2ncn3-c2cc(C(=O)NC3CC3)ccc2C)CC1
InChIInChI=1S/C22H27N7O/c1-3-27-8-10-28(11-9-27)20-19-21(24-13-23-20)29(14-25-19)18-12-16(5-4-15(18)2)22(30)26-17-6-7-17/h4-5,12-14,17H,3,6-11H2,1-2H3,(H,26,30)
InChIKeyZVDFLWRVRDVLIS-UHFFFAOYSA-N
XLogP2.16
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-methyl-3-[6-(2-methylbutylamino)purin-9-yl]benzamide
CID 68527878
N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide
CID 11610403
N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methylbenzamide
CID 11502193
3-[6-(2-bicyclo[2.1.1]hexanylamino)purin-9-yl]-N-cyclopropyl-4-methylbenzamide
CID 70984061
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
3-[9-[3-(butan-2-ylcarbamoyl)phenyl]purin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 143074273
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 24860659
3-[6-(cyclobutylamino)-3,6-dihydropurin-9-yl]-N-cyclopropyl-4-methylbenzamide
CID 143074294
N-cyclopropyl-3-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918991
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide (CID 11531550) is N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide is CCN1CCN(c2ncnc3c2ncn3-c2cc(C(=O)NC3CC3)ccc2C)CC1.
What is the InChIKey of N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide?
The InChIKey is ZVDFLWRVRDVLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-3-27-8-10-28(11-9-27)20-19-21(24-13-23-20)29(14-25-19)18-12-16(5-4-15(18)2)22(30)26-17-6-7-17/h4-5,12-14,17H,3,6-11H2,1-2H3,(H,26,30).
What are the key properties of N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide?
N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide has a molecular weight of 405.51 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide is sourced from PubChem (CID 11531550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).