(3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol

C18H25ClN8O — CID 86616764

IUPAC(3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)C1
InChIInChI=1S/C18H25ClN8O/c19-14-17(27-8-3-12(28)11-27)22-15-13(21-14)16(25-6-1-2-7-25)24-18(23-15)26-9-4-20-5-10-26/h12,20,28H,1-11H2/t12-/m1/s1
InChIKeyUPYUHOJMHBVEKX-GFCCVEGCSA-N
MW404.91 g/mol
LogP0.65
Rot. Bonds3

About (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol

(3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol (PubChem CID 86616764) has the molecular formula C18H25ClN8O and a molecular weight of 404.91 g/mol. Its IUPAC name is (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol
PubChem CID86616764
Molecular FormulaC18H25ClN8O
Molecular Weight404.91 g/mol
Exact Mass404.18
IUPAC Name(3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)C1
InChIInChI=1S/C18H25ClN8O/c19-14-17(27-8-3-12(28)11-27)22-15-13(21-14)16(25-6-1-2-7-25)24-18(23-15)26-9-4-20-5-10-26/h12,20,28H,1-11H2/t12-/m1/s1
InChIKeyUPYUHOJMHBVEKX-GFCCVEGCSA-N
XLogP0.65
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol with MolForge

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Related Compounds

6-Chloro-2-piperazin-1-yl-4,7-dipyrrolidin-1-ylpteridine
CID 9930237
6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
CID 10784906
6-Chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
CID 23582562
6-Chloro-7-(4-hydroxypiperidin-1-yl)-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine
CID 86616763
[4-(2,6-Dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
CID 87509800
(2R)-1-[(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)amino]propan-2-ol
CID 87509918
1-[(2,6-Dichloro-4-pyrrolidin-1-ylpteridin-7-yl)amino]propan-2-ol
CID 87509919
6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
CID 87510025
[4-(6-Chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
CID 87510030
1-[[(6-Chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)amino]methyl]cyclohexan-1-ol
CID 87510152
2-[(2,6-Dichloro-4-pyrrolidin-1-ylpteridin-7-yl)amino]-2-ethylpropane-1,3-diol
CID 87510174
2-[(2,6-Dichloro-4-pyrrolidin-1-ylpteridin-7-yl)amino]propan-1-ol
CID 87510282

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol (CID 86616764) is (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol is O[C@@H]1CCN(c2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)C1.
What is the InChIKey of (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol?
The InChIKey is UPYUHOJMHBVEKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25ClN8O/c19-14-17(27-8-3-12(28)11-27)22-15-13(21-14)16(25-6-1-2-7-25)24-18(23-15)26-9-4-20-5-10-26/h12,20,28H,1-11H2/t12-/m1/s1.
What are the key properties of (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol?
(3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol has a molecular weight of 404.91 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-3-ol is sourced from PubChem (CID 86616764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).