2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide

C23H29N9O2 — CID 157235463

IUPAC2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide
SMILESNC(=O)CNc1nc(Nc2ccc(C(=O)N3CCNCC3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C23H29N9O2/c24-18(33)13-26-23-29-20(19-21(30-23)32(14-27-19)17-3-1-2-4-17)28-16-7-5-15(6-8-16)22(34)31-11-9-25-10-12-31/h5-8,14,17,25H,1-4,9-13H2,(H2,24,33)(H2,26,28,29,30)
InChIKeyAUOUNXAEZXVKIR-UHFFFAOYSA-N
MW463.55 g/mol
LogP1.63
Rot. Bonds7

About 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide

2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide (PubChem CID 157235463) has the molecular formula C23H29N9O2 and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide
PubChem CID157235463
Molecular FormulaC23H29N9O2
Molecular Weight463.55 g/mol
Exact Mass463.24
IUPAC Name2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide
SMILESNC(=O)CNc1nc(Nc2ccc(C(=O)N3CCNCC3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C23H29N9O2/c24-18(33)13-26-23-29-20(19-21(30-23)32(14-27-19)17-3-1-2-4-17)28-16-7-5-15(6-8-16)22(34)31-11-9-25-10-12-31/h5-8,14,17,25H,1-4,9-13H2,(H2,24,33)(H2,26,28,29,30)
InChIKeyAUOUNXAEZXVKIR-UHFFFAOYSA-N
XLogP1.63
TPSA143.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide with MolForge

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Related Compounds

[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 151387867
[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone
CID 158970374
[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 10187811
4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea
CID 162511206
4-[9-cyclohexyl-6-(4-phenoxyanilino)purin-2-yl]benzamide
CID 117093893
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882
3-[[9-cyclopentyl-6-[[6-[(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-3-pyridinyl]amino]purin-2-yl]amino]propanamide
CID 162511222
2-[3-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]propyl]guanidine
CID 151352382
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719
2-[5-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]pentyl]guanidine
CID 150356248
N-[4-[(2-chloro-9-cyclohexylpurin-6-yl)amino]phenyl]acetamide
CID 117089119
N-(2-aminophenyl)-4-[[[6-(3-chloroanilino)-9-cyclopentylpurin-2-yl]amino]methoxymethyl]benzamide
CID 162662377

Frequently Asked Questions

What is the IUPAC name of 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide?
The IUPAC name of 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide (CID 157235463) is 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide?
The canonical SMILES for 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide is NC(=O)CNc1nc(Nc2ccc(C(=O)N3CCNCC3)cc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide?
The InChIKey is AUOUNXAEZXVKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O2/c24-18(33)13-26-23-29-20(19-21(30-23)32(14-27-19)17-3-1-2-4-17)28-16-7-5-15(6-8-16)22(34)31-11-9-25-10-12-31/h5-8,14,17,25H,1-4,9-13H2,(H2,24,33)(H2,26,28,29,30).
What are the key properties of 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide?
2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide has a molecular weight of 463.55 g/mol, XLogP of 1.63, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide is sourced from PubChem (CID 157235463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).