2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine

C25H34ClN7 — CID 57231582

IUPAC2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine
SMILESClc1nc(C2(N3CCC(CCN4CCCC4)CC3)C=CC=N2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C25H34ClN7/c26-24-29-22(21-23(30-24)33(18-27-21)20-6-1-2-7-20)25(11-5-12-28-25)32-16-9-19(10-17-32)8-15-31-13-3-4-14-31/h5,11-12,18-20H,1-4,6-10,13-17H2
InChIKeyLOICLPGXMGGHFE-UHFFFAOYSA-N
MW468.05 g/mol
LogP4.59
Rot. Bonds6

About 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine

2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine (PubChem CID 57231582) has the molecular formula C25H34ClN7 and a molecular weight of 468.05 g/mol. Its IUPAC name is 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine.

Molecular Properties

Compound Name2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine
PubChem CID57231582
Molecular FormulaC25H34ClN7
Molecular Weight468.05 g/mol
Exact Mass467.26
IUPAC Name2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine
SMILESClc1nc(C2(N3CCC(CCN4CCCC4)CC3)C=CC=N2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C25H34ClN7/c26-24-29-22(21-23(30-24)33(18-27-21)20-6-1-2-7-20)25(11-5-12-28-25)32-16-9-19(10-17-32)8-15-31-13-3-4-14-31/h5,11-12,18-20H,1-4,6-10,13-17H2
InChIKeyLOICLPGXMGGHFE-UHFFFAOYSA-N
XLogP4.59
TPSA62.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.05
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine
CID 18001939
2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine
CID 18001854
2-N-(1-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]purine-2,6-diamine
CID 18002277
2-chloro-9-cyclopentyl-N-(4-pentylpiperidin-1-yl)purin-6-amine;N-propylpropan-1-amine
CID 18001693
2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine
CID 91039080
2-chloro-9-cyclopentyl-N-[4-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]purin-6-amine
CID 18002167
2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
CID 24904110
1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2-chlorophenyl)hydrazine
CID 18001860
N-butylbutan-1-amine;2-chloro-9-cyclopentyl-N-(4-ethylpiperidin-1-yl)purin-6-amine
CID 18002086
N-[(6-bromo-3-pyridinyl)methyl]-2-chloro-9-cyclopentylpurin-6-amine
CID 90332878
2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine
CID 18001801
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine?
The IUPAC name of 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine (CID 57231582) is 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine.
What is the SMILES notation for 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine?
The canonical SMILES for 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine is Clc1nc(C2(N3CCC(CCN4CCCC4)CC3)C=CC=N2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine?
The InChIKey is LOICLPGXMGGHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN7/c26-24-29-22(21-23(30-24)33(18-27-21)20-6-1-2-7-20)25(11-5-12-28-25)32-16-9-19(10-17-32)8-15-31-13-3-4-14-31/h5,11-12,18-20H,1-4,6-10,13-17H2.
What are the key properties of 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine?
2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine has a molecular weight of 468.05 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine is sourced from PubChem (CID 57231582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).