(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone

C19H14N4O — CID 58087201

IUPAC(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c[nH]c2ncc(Nc3ccccc3)cc12
InChIInChI=1S/C19H14N4O/c24-18(13-5-4-8-20-10-13)17-12-22-19-16(17)9-15(11-21-19)23-14-6-2-1-3-7-14/h1-12,23H,(H,21,22)
InChIKeyBHXTZHRMCJXABG-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.93
Rot. Bonds4

About (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone

(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone (PubChem CID 58087201) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone
PubChem CID58087201
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c[nH]c2ncc(Nc3ccccc3)cc12
InChIInChI=1S/C19H14N4O/c24-18(13-5-4-8-20-10-13)17-12-22-19-16(17)9-15(11-21-19)23-14-6-2-1-3-7-14/h1-12,23H,(H,21,22)
InChIKeyBHXTZHRMCJXABG-UHFFFAOYSA-N
XLogP3.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
1-pyridin-4-yl-3-[3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58086585
1-(3-fluorophenyl)-3-[3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58086684
[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
CID 58087344
[4-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone
CID 58086929
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
N-[3-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66646848
[5-(2-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
CID 58086831
1-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 172827954
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11461682

Frequently Asked Questions

What is the IUPAC name of (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone (CID 58087201) is (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1c[nH]c2ncc(Nc3ccccc3)cc12.
What is the InChIKey of (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone?
The InChIKey is BHXTZHRMCJXABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-18(13-5-4-8-20-10-13)17-12-22-19-16(17)9-15(11-21-19)23-14-6-2-1-3-7-14/h1-12,23H,(H,21,22).
What are the key properties of (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone?
(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone has a molecular weight of 314.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 58087201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).