6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde

C16H13N3O — CID 166105354

IUPAC6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESO=Cc1c(C2CC2)n(-c2ccccc2)c2nccnc12
InChIInChI=1S/C16H13N3O/c20-10-13-14-16(18-9-8-17-14)19(15(13)11-6-7-11)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2
InChIKeyAITOMPNNUSWFJU-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.11
Rot. Bonds3

About 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde

6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 166105354) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde
PubChem CID166105354
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESO=Cc1c(C2CC2)n(-c2ccccc2)c2nccnc12
InChIInChI=1S/C16H13N3O/c20-10-13-14-16(18-9-8-17-14)19(15(13)11-6-7-11)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2
InChIKeyAITOMPNNUSWFJU-UHFFFAOYSA-N
XLogP3.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 166104245
2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 87205998
3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde
CID 83885760
2,4,5-trimethyl-1-phenylpyrrole-3-carbaldehyde
CID 30030220
5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine
CID 118611244
5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine
CID 118611264
1-phenyl-1,2,4-triazole-3-carbaldehyde
CID 15707892
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84681728
5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carbaldehyde
CID 143749406
6,13-dimethyl-8-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene;hydrate;dihydrochloride
CID 44784238
3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde
CID 83482968
5-cyclopropyl-1-phenylpyrazole
CID 67206706

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 166105354) is 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde is O=Cc1c(C2CC2)n(-c2ccccc2)c2nccnc12.
What is the InChIKey of 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is AITOMPNNUSWFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-10-13-14-16(18-9-8-17-14)19(15(13)11-6-7-11)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2.
What are the key properties of 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde?
6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 166105354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).