pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone

C16H11N5O — CID 175366502

IUPACpyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone
SMILESO=C(c1ccccn1)c1cnc(-c2c[nH]c3ncccc23)[nH]1
InChIInChI=1S/C16H11N5O/c22-14(12-5-1-2-6-17-12)13-9-20-16(21-13)11-8-19-15-10(11)4-3-7-18-15/h1-9H,(H,18,19)(H,20,21)
InChIKeyPHNPCHWFUYATMG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.58
Rot. Bonds3

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

pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone (PubChem CID 175366502) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone
PubChem CID175366502
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Namepyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone
SMILESO=C(c1ccccn1)c1cnc(-c2c[nH]c3ncccc23)[nH]1
InChIInChI=1S/C16H11N5O/c22-14(12-5-1-2-6-17-12)13-9-20-16(21-13)11-8-19-15-10(11)4-3-7-18-15/h1-9H,(H,18,19)(H,20,21)
InChIKeyPHNPCHWFUYATMG-UHFFFAOYSA-N
XLogP2.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 57421983
2-quinolin-4-yl-1H-imidazole-5-carboxylic acid
CID 63867192
3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 152961417
6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494817

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone?
The IUPAC name of pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone (CID 175366502) is pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone?
The canonical SMILES for pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone is O=C(c1ccccn1)c1cnc(-c2c[nH]c3ncccc23)[nH]1.
What is the InChIKey of pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone?
The InChIKey is PHNPCHWFUYATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c22-14(12-5-1-2-6-17-12)13-9-20-16(21-13)11-8-19-15-10(11)4-3-7-18-15/h1-9H,(H,18,19)(H,20,21).
What are the key properties of pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone?
pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone has a molecular weight of 289.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone is sourced from PubChem (CID 175366502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).