3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide

C22H23N5O2 — CID 90556383

IUPAC3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCn2ccc3cccnc32)n(C)n1
InChIInChI=1S/C22H23N5O2/c1-26-19(15-18(25-26)17-8-3-4-9-20(17)29-2)22(28)24-12-6-13-27-14-10-16-7-5-11-23-21(16)27/h3-5,7-11,14-15H,6,12-13H2,1-2H3,(H,24,28)
InChIKeyVQKUERAJNFJDJC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.27
Rot. Bonds7

About 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide

3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide (PubChem CID 90556383) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
PubChem CID90556383
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCn2ccc3cccnc32)n(C)n1
InChIInChI=1S/C22H23N5O2/c1-26-19(15-18(25-26)17-8-3-4-9-20(17)29-2)22(28)24-12-6-13-27-14-10-16-7-5-11-23-21(16)27/h3-5,7-11,14-15H,6,12-13H2,1-2H3,(H,24,28)
InChIKeyVQKUERAJNFJDJC-UHFFFAOYSA-N
XLogP3.27
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90575671
3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
CID 90556350
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
CID 90549371
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105412
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42879371
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carboxamide
CID 42879358
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90552002

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide (CID 90556383) is 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCCCn2ccc3cccnc32)n(C)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide?
The InChIKey is VQKUERAJNFJDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26-19(15-18(25-26)17-8-3-4-9-20(17)29-2)22(28)24-12-6-13-27-14-10-16-7-5-11-23-21(16)27/h3-5,7-11,14-15H,6,12-13H2,1-2H3,(H,24,28).
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90556383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).