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

C15H10N4O — CID 151992527

IUPACbis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ncccc12)c1c[nH]c2ncccc12
InChIInChI=1S/C15H10N4O/c20-13(11-7-18-14-9(11)3-1-5-16-14)12-8-19-15-10(12)4-2-6-17-15/h1-8H,(H,16,18)(H,17,19)
InChIKeyUEZBZQLBTJHVRD-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.67
Rot. Bonds2

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

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 151992527) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Namebis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID151992527
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Namebis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ncccc12)c1c[nH]c2ncccc12
InChIInChI=1S/C15H10N4O/c20-13(11-7-18-14-9(11)3-1-5-16-14)12-8-19-15-10(12)4-2-6-17-15/h1-8H,(H,16,18)(H,17,19)
InChIKeyUEZBZQLBTJHVRD-UHFFFAOYSA-N
XLogP2.67
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(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
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43463223
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406
(2-bromo-4-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339392
[2-(difluoromethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339376
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303

Frequently Asked Questions

What is the IUPAC name of bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 151992527) is bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1c[nH]c2ncccc12)c1c[nH]c2ncccc12.
What is the InChIKey of bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is UEZBZQLBTJHVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-13(11-7-18-14-9(11)3-1-5-16-14)12-8-19-15-10(12)4-2-6-17-15/h1-8H,(H,16,18)(H,17,19).
What are the key properties of bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 262.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 151992527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).