2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one

C22H20N2O — CID 59170388

IUPAC2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C22H20N2O/c1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,23,25)
InChIKeyONTLALKDAXHPKG-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.61
Rot. Bonds4

About 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one

2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 59170388) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID59170388
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C22H20N2O/c1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,23,25)
InChIKeyONTLALKDAXHPKG-UHFFFAOYSA-N
XLogP4.61
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one (CID 59170388) is 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one is CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ONTLALKDAXHPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,23,25).
What are the key properties of 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 328.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 59170388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).