[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone

C24H31N9O2 — CID 158970374

IUPAC[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)cn1)N1CCNCC1
InChIInChI=1S/C24H31N9O2/c34-23(31-9-7-25-8-10-31)19-6-5-17(15-26-19)28-21-20-22(33(16-27-20)18-3-1-2-4-18)30-24(29-21)32-11-13-35-14-12-32/h5-6,15-16,18,25H,1-4,7-14H2,(H,28,29,30)
InChIKeyJNSTXBGHSOMGER-UHFFFAOYSA-N
MW477.57 g/mol
LogP1.96
Rot. Bonds5

About [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone

[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 158970374) has the molecular formula C24H31N9O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID158970374
Molecular FormulaC24H31N9O2
Molecular Weight477.57 g/mol
Exact Mass477.26
IUPAC Name[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)cn1)N1CCNCC1
InChIInChI=1S/C24H31N9O2/c34-23(31-9-7-25-8-10-31)19-6-5-17(15-26-19)28-21-20-22(33(16-27-20)18-3-1-2-4-18)30-24(29-21)32-11-13-35-14-12-32/h5-6,15-16,18,25H,1-4,7-14H2,(H,28,29,30)
InChIKeyJNSTXBGHSOMGER-UHFFFAOYSA-N
XLogP1.96
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine
CID 160921333
2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide
CID 157235463
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882
4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea
CID 162511206
9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
CID 117085834
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(6-morpholin-4-yl-3-pyridinyl)purine-2,6-diamine
CID 142432629
[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 151387867
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide
CID 170775454
N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-2-morpholin-4-ylpurin-6-amine
CID 50930765
9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
CID 90333026
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719

Frequently Asked Questions

What is the IUPAC name of [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone (CID 158970374) is [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone is O=C(c1ccc(Nc2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)cn1)N1CCNCC1.
What is the InChIKey of [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is JNSTXBGHSOMGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O2/c34-23(31-9-7-25-8-10-31)19-6-5-17(15-26-19)28-21-20-22(33(16-27-20)18-3-1-2-4-18)30-24(29-21)32-11-13-35-14-12-32/h5-6,15-16,18,25H,1-4,7-14H2,(H,28,29,30).
What are the key properties of [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone?
[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 477.57 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 158970374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).