1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one

C20H17N3O — CID 174641291

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one
SMILESO=C(Cc1ccccc1-n1cccc1)Cc1ccnc2[nH]ccc12
InChIInChI=1S/C20H17N3O/c24-17(13-15-7-9-21-20-18(15)8-10-22-20)14-16-5-1-2-6-19(16)23-11-3-4-12-23/h1-12H,13-14H2,(H,21,22)
InChIKeyURDDEHOBIMXVLW-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.71
Rot. Bonds5

About 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one

1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one (PubChem CID 174641291) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one
PubChem CID174641291
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one
SMILESO=C(Cc1ccccc1-n1cccc1)Cc1ccnc2[nH]ccc12
InChIInChI=1S/C20H17N3O/c24-17(13-15-7-9-21-20-18(15)8-10-22-20)14-16-5-1-2-6-19(16)23-11-3-4-12-23/h1-12H,13-14H2,(H,21,22)
InChIKeyURDDEHOBIMXVLW-UHFFFAOYSA-N
XLogP3.71
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one (CID 174641291) is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one is O=C(Cc1ccccc1-n1cccc1)Cc1ccnc2[nH]ccc12.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one?
The InChIKey is URDDEHOBIMXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-17(13-15-7-9-21-20-18(15)8-10-22-20)14-16-5-1-2-6-19(16)23-11-3-4-12-23/h1-12H,13-14H2,(H,21,22).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one?
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one is sourced from PubChem (CID 174641291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).