[4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone

C19H11Cl2N3O2 — CID 134283436

IUPAC[4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
SMILESO=C(c1ccc(Oc2ccc(Cl)cc2)cc1)c1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C19H11Cl2N3O2/c20-12-3-7-14(8-4-12)26-13-5-1-11(2-6-13)17(25)15-9-22-19-16(15)18(21)23-10-24-19/h1-10H,(H,22,23,24)
InChIKeySKZRDJGTLBDPQD-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.29
Rot. Bonds4

About [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone

[4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone (PubChem CID 134283436) has the molecular formula C19H11Cl2N3O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
PubChem CID134283436
Molecular FormulaC19H11Cl2N3O2
Molecular Weight384.22 g/mol
Exact Mass383.02
IUPAC Name[4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
SMILESO=C(c1ccc(Oc2ccc(Cl)cc2)cc1)c1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C19H11Cl2N3O2/c20-12-3-7-14(8-4-12)26-13-5-1-11(2-6-13)17(25)15-9-22-19-16(15)18(21)23-10-24-19/h1-10H,(H,22,23,24)
InChIKeySKZRDJGTLBDPQD-UHFFFAOYSA-N
XLogP5.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-3-pyridinyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 86603153
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-chloro-4-(4-chlorophenoxy)phenyl]methanone
CID 155367080
4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 155366990
(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-methylthiophen-2-yl)methanone
CID 134283062
[4-(1,3-benzoxazol-7-yloxy)-2-chlorophenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 164580572
1-[4-[[5-[4-(4-fluorophenoxy)benzoyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]propan-2-one
CID 159174907
5-[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-chlorophenoxy]-N-methylpyridine-2-carboxamide
CID 134297153
[2-chloro-4-[(5-methoxy-1-benzofuran-7-yl)oxy]phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 164580701
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
(3-amino-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512800
1-[3-[[5-(4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 134282907
N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide
CID 53237505

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone (CID 134283436) is [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone is O=C(c1ccc(Oc2ccc(Cl)cc2)cc1)c1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone?
The InChIKey is SKZRDJGTLBDPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2/c20-12-3-7-14(8-4-12)26-13-5-1-11(2-6-13)17(25)15-9-22-19-16(15)18(21)23-10-24-19/h1-10H,(H,22,23,24).
What are the key properties of [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone?
[4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone has a molecular weight of 384.22 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone is sourced from PubChem (CID 134283436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).