3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C20H17N5O2 — CID 11394271

IUPAC3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(C(N)=O)c4)cc23)nn1C
InChIInChI=1S/C20H17N5O2/c1-11-6-17(24-25(11)2)18(26)16-10-23-20-15(16)8-14(9-22-20)12-4-3-5-13(7-12)19(21)27/h3-10H,1-2H3,(H2,21,27)(H,22,23)
InChIKeyKWDLBRLSTBMLJZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.60
Rot. Bonds4

About 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 11394271) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID11394271
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(C(N)=O)c4)cc23)nn1C
InChIInChI=1S/C20H17N5O2/c1-11-6-17(24-25(11)2)18(26)16-10-23-20-15(16)8-14(9-22-20)12-4-3-5-13(7-12)19(21)27/h3-10H,1-2H3,(H2,21,27)(H,22,23)
InChIKeyKWDLBRLSTBMLJZ-UHFFFAOYSA-N
XLogP2.60
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 11394271) is 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is Cc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(C(N)=O)c4)cc23)nn1C.
What is the InChIKey of 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is KWDLBRLSTBMLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-11-6-17(24-25(11)2)18(26)16-10-23-20-15(16)8-14(9-22-20)12-4-3-5-13(7-12)19(21)27/h3-10H,1-2H3,(H2,21,27)(H,22,23).
What are the key properties of 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,5-dimethylpyrazole-3-carbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 11394271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).