4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

C20H19N5O — CID 76683517

IUPAC4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)c3n[nH]c(C)c3C)cnc2[nH]1
InChIInChI=1S/C20H19N5O/c1-11-6-4-5-7-16(11)17-9-14-8-15(10-21-19(14)23-17)22-20(26)18-12(2)13(3)24-25-18/h4-10H,1-3H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyZQVFHDUGGJLUDK-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.13
Rot. Bonds3

About 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 76683517) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID76683517
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)c3n[nH]c(C)c3C)cnc2[nH]1
InChIInChI=1S/C20H19N5O/c1-11-6-4-5-7-16(11)17-9-14-8-15(10-21-19(14)23-17)22-20(26)18-12(2)13(3)24-25-18/h4-10H,1-3H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyZQVFHDUGGJLUDK-UHFFFAOYSA-N
XLogP4.13
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (CID 76683517) is 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.
What is the InChIKey of 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZQVFHDUGGJLUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-11-6-4-5-7-16(11)17-9-14-8-15(10-21-19(14)23-17)22-20(26)18-12(2)13(3)24-25-18/h4-10H,1-3H3,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76683517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).