2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine

C17H21Cl2N7 — CID 167976285

IUPAC2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine
SMILESCc1nn(CC(C)C)c(Cl)c1C1CCCN1c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C17H21Cl2N7/c1-9(2)7-26-14(18)12(10(3)24-26)11-5-4-6-25(11)16-13-15(21-8-20-13)22-17(19)23-16/h8-9,11H,4-7H2,1-3H3,(H,20,21,22,23)
InChIKeyDXFZNHIYRNOPGZ-UHFFFAOYSA-N
MW394.31 g/mol
LogP4.16
Rot. Bonds4

About 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine

2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine (PubChem CID 167976285) has the molecular formula C17H21Cl2N7 and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine.

Molecular Properties

Compound Name2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine
PubChem CID167976285
Molecular FormulaC17H21Cl2N7
Molecular Weight394.31 g/mol
Exact Mass393.12
IUPAC Name2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine
SMILESCc1nn(CC(C)C)c(Cl)c1C1CCCN1c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C17H21Cl2N7/c1-9(2)7-26-14(18)12(10(3)24-26)11-5-4-6-25(11)16-13-15(21-8-20-13)22-17(19)23-16/h8-9,11H,4-7H2,1-3H3,(H,20,21,22,23)
InChIKeyDXFZNHIYRNOPGZ-UHFFFAOYSA-N
XLogP4.16
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167819991
2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 167792605
4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 167921473
7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine
CID 167912758
3-bromo-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-2-methylpyridine
CID 167978780
4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133472487
2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine
CID 104787123
2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 133361873
methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 167815516
2-chloro-6-(4-propan-2-ylazepan-1-yl)-7H-purine
CID 104787375
1-tert-butyl-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167985238
6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133361895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine?
The IUPAC name of 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine (CID 167976285) is 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine.
What is the SMILES notation for 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine?
The canonical SMILES for 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine is Cc1nn(CC(C)C)c(Cl)c1C1CCCN1c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine?
The InChIKey is DXFZNHIYRNOPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N7/c1-9(2)7-26-14(18)12(10(3)24-26)11-5-4-6-25(11)16-13-15(21-8-20-13)22-17(19)23-16/h8-9,11H,4-7H2,1-3H3,(H,20,21,22,23).
What are the key properties of 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine?
2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine has a molecular weight of 394.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine is sourced from PubChem (CID 167976285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).