[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone

C20H14N6O2 — CID 135981907

IUPAC[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
SMILESCn1cc(-c2cnc3[nH]cc(-c4noc(C(=O)c5ccccc5)n4)c3c2)cn1
InChIInChI=1S/C20H14N6O2/c1-26-11-14(9-23-26)13-7-15-16(10-22-18(15)21-8-13)19-24-20(28-25-19)17(27)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
InChIKeyYZZKKNLXLPGYEV-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.24
Rot. Bonds4

About [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone

[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone (PubChem CID 135981907) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
PubChem CID135981907
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
SMILESCn1cc(-c2cnc3[nH]cc(-c4noc(C(=O)c5ccccc5)n4)c3c2)cn1
InChIInChI=1S/C20H14N6O2/c1-26-11-14(9-23-26)13-7-15-16(10-22-18(15)21-8-13)19-24-20(28-25-19)17(27)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
InChIKeyYZZKKNLXLPGYEV-UHFFFAOYSA-N
XLogP3.24
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 135981844
2-[methoxy(phenyl)methyl]-5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazole
CID 135981818
3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]triazol-1-yl]-3-phenylpropanoic acid
CID 66778700
2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 57344834
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
CID 59320322
4-(1-methoxy-1-phenylethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 53252762
N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 156782659
3-(N-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-2-chloroanilino)propanoic acid
CID 57335706
4-N-benzyl-4-N-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335419
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
4-N-(2-fluorophenyl)-4-N-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335274
N-[1-(3-chlorophenyl)ethyl]-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
CID 118879838

Frequently Asked Questions

What is the IUPAC name of [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The IUPAC name of [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone (CID 135981907) is [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The canonical SMILES for [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone is Cn1cc(-c2cnc3[nH]cc(-c4noc(C(=O)c5ccccc5)n4)c3c2)cn1.
What is the InChIKey of [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The InChIKey is YZZKKNLXLPGYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c1-26-11-14(9-23-26)13-7-15-16(10-22-18(15)21-8-13)19-24-20(28-25-19)17(27)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22).
What are the key properties of [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone has a molecular weight of 370.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 135981907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).