4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine

C18H17Cl2N3O — CID 142506973

IUPAC4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cl)c(-c2cn(C3CCCC3)c3ncnc(Cl)c23)c1
InChIInChI=1S/C18H17Cl2N3O/c1-24-12-6-7-15(19)13(8-12)14-9-23(11-4-2-3-5-11)18-16(14)17(20)21-10-22-18/h6-11H,2-5H2,1H3
InChIKeyUFPNVKNSDOLCBS-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.53
Rot. Bonds3

About 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine

4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine (PubChem CID 142506973) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
PubChem CID142506973
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cl)c(-c2cn(C3CCCC3)c3ncnc(Cl)c23)c1
InChIInChI=1S/C18H17Cl2N3O/c1-24-12-6-7-15(19)13(8-12)14-9-23(11-4-2-3-5-11)18-16(14)17(20)21-10-22-18/h6-11H,2-5H2,1H3
InChIKeyUFPNVKNSDOLCBS-UHFFFAOYSA-N
XLogP5.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-chloro-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]aniline
CID 135198356
4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;cyclopropylmethanol;ethane
CID 143087805
[2-tert-butyl-4-(4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
CID 175902630
7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 139331158
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146632225
5-[4-chloro-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxybenzonitrile
CID 21302950
N-[3-[4-amino-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-3-chloro-4-methoxybenzenesulfonamide
CID 138707677
6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine
CID 139327350
7-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792910
1-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 67219779
7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine
CID 154947058

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine (CID 142506973) is 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine is COc1ccc(Cl)c(-c2cn(C3CCCC3)c3ncnc(Cl)c23)c1.
What is the InChIKey of 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The InChIKey is UFPNVKNSDOLCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-24-12-6-7-15(19)13(8-12)14-9-23(11-4-2-3-5-11)18-16(14)17(20)21-10-22-18/h6-11H,2-5H2,1H3.
What are the key properties of 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine has a molecular weight of 362.26 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 142506973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).