(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C22H18N2O2 — CID 59803810

IUPAC(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1c(OCc2ccccc2)cccc1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C22H18N2O2/c1-15-17(21(25)19-13-24-22-18(19)10-6-12-23-22)9-5-11-20(15)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyCKPOZHZUICCGNG-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.68
Rot. Bonds5

About (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 59803810) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID59803810
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1c(OCc2ccccc2)cccc1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C22H18N2O2/c1-15-17(21(25)19-13-24-22-18(19)10-6-12-23-22)9-5-11-20(15)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyCKPOZHZUICCGNG-UHFFFAOYSA-N
XLogP4.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
[3-[(4-chlorophenyl)methoxy]-2-(2,2-difluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086893
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
[6-[(3-phenylmethoxyphenyl)methyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086392
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086108
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81398066
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43463223
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086764

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 59803810) is (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1c(OCc2ccccc2)cccc1C(=O)c1c[nH]c2ncccc12.
What is the InChIKey of (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is CKPOZHZUICCGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-17(21(25)19-13-24-22-18(19)10-6-12-23-22)9-5-11-20(15)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 59803810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).