[2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C22H15Cl2FN2O3 — CID 58087699

IUPAC[2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(OCc4ccc(Cl)cc4)c3Cl)c2c1
InChIInChI=1S/C22H15Cl2FN2O3/c1-29-14-8-15-16(10-27-22(15)26-9-14)21(28)19-17(25)6-7-18(20(19)24)30-11-12-2-4-13(23)5-3-12/h2-10H,11H2,1H3,(H,26,27)
InChIKeyIVRXEIMSEONESZ-UHFFFAOYSA-N
MW445.28 g/mol
LogP5.83
Rot. Bonds6

About [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 58087699) has the molecular formula C22H15Cl2FN2O3 and a molecular weight of 445.28 g/mol. Its IUPAC name is [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID58087699
Molecular FormulaC22H15Cl2FN2O3
Molecular Weight445.28 g/mol
Exact Mass444.04
IUPAC Name[2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(OCc4ccc(Cl)cc4)c3Cl)c2c1
InChIInChI=1S/C22H15Cl2FN2O3/c1-29-14-8-15-16(10-27-22(15)26-9-14)21(28)19-17(25)6-7-18(20(19)24)30-11-12-2-4-13(23)5-3-12/h2-10H,11H2,1H3,(H,26,27)
InChIKeyIVRXEIMSEONESZ-UHFFFAOYSA-N
XLogP5.83
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 54584504
CID 54584504
CID 156770705
CID 156770705
CID 134282833
CID 134282833
CID 134282980
CID 134282980
CID 134282988
CID 134282988
CID 134283137
CID 134283137
CID 134283146
CID 134283146
CID 16048875
CID 16048875
CID 16048877
CID 16048877
CID 24951651
CID 24951651
CID 24953082
CID 24953082
CID 24953083
CID 24953083

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 58087699) is [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is COc1cnc2[nH]cc(C(=O)c3c(F)ccc(OCc4ccc(Cl)cc4)c3Cl)c2c1.
What is the InChIKey of [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is IVRXEIMSEONESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN2O3/c1-29-14-8-15-16(10-27-22(15)26-9-14)21(28)19-17(25)6-7-18(20(19)24)30-11-12-2-4-13(23)5-3-12/h2-10H,11H2,1H3,(H,26,27).
What are the key properties of [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 445.28 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 58087699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).