1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone

C22H18N2O — CID 58065947

IUPAC1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(Cc2c[nH]c3ncccc23)cc1)c1ccccc1
InChIInChI=1S/C22H18N2O/c25-21(18-5-2-1-3-6-18)14-17-10-8-16(9-11-17)13-19-15-24-22-20(19)7-4-12-23-22/h1-12,15H,13-14H2,(H,23,24)
InChIKeyDTBKQMUDAWWPKS-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.58
Rot. Bonds5

About 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone

1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone (PubChem CID 58065947) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone
PubChem CID58065947
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(Cc2c[nH]c3ncccc23)cc1)c1ccccc1
InChIInChI=1S/C22H18N2O/c25-21(18-5-2-1-3-6-18)14-17-10-8-16(9-11-17)13-19-15-24-22-20(19)7-4-12-23-22/h1-12,15H,13-14H2,(H,23,24)
InChIKeyDTBKQMUDAWWPKS-UHFFFAOYSA-N
XLogP4.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-1-phenylethanone
CID 24953575
1-(3,4-dichlorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone
CID 58442266
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 43339354
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91928260
N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 25151533
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788
3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone;4-(trifluoromethyl)benzamide
CID 159400183
N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 71015926

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone?
The IUPAC name of 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone (CID 58065947) is 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone?
The canonical SMILES for 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone is O=C(Cc1ccc(Cc2c[nH]c3ncccc23)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone?
The InChIKey is DTBKQMUDAWWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-21(18-5-2-1-3-6-18)14-17-10-8-16(9-11-17)13-19-15-24-22-20(19)7-4-12-23-22/h1-12,15H,13-14H2,(H,23,24).
What are the key properties of 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone?
1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 58065947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).