N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

C21H21N5O — CID 134806315

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2c[nH]c3ncc(-c4ccccc4C)cc23)n(C)n1
InChIInChI=1S/C21H21N5O/c1-13-6-4-5-7-17(13)15-9-18-16(12-23-21(18)22-11-15)10-20(27)24-19-8-14(2)25-26(19)3/h4-9,11-12H,10H2,1-3H3,(H,22,23)(H,24,27)
InChIKeyZRKYDJGVPBRBLI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.76
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 134806315) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID134806315
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2c[nH]c3ncc(-c4ccccc4C)cc23)n(C)n1
InChIInChI=1S/C21H21N5O/c1-13-6-4-5-7-17(13)15-9-18-16(12-23-21(18)22-11-15)10-20(27)24-19-8-14(2)25-26(19)3/h4-9,11-12H,10H2,1-3H3,(H,22,23)(H,24,27)
InChIKeyZRKYDJGVPBRBLI-UHFFFAOYSA-N
XLogP3.76
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 134806315) is N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is Cc1cc(NC(=O)Cc2c[nH]c3ncc(-c4ccccc4C)cc23)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is ZRKYDJGVPBRBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-6-4-5-7-17(13)15-9-18-16(12-23-21(18)22-11-15)10-20(27)24-19-8-14(2)25-26(19)3/h4-9,11-12H,10H2,1-3H3,(H,22,23)(H,24,27).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 134806315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).