6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide

C24H24FN5O2 — CID 178094824

IUPAC6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2F)cc2ccc(-c3cnn(C(=O)C(C)(C)C)c3)nc21
InChIInChI=1S/C24H24FN5O2/c1-24(2,3)23(32)30-14-17(13-27-30)19-10-9-15-11-20(29(4)21(15)28-19)22(31)26-12-16-7-5-6-8-18(16)25/h5-11,13-14H,12H2,1-4H3,(H,26,31)
InChIKeyIHDHSZJXIPZDTM-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.19
Rot. Bonds4

About 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide

6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 178094824) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID178094824
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2F)cc2ccc(-c3cnn(C(=O)C(C)(C)C)c3)nc21
InChIInChI=1S/C24H24FN5O2/c1-24(2,3)23(32)30-14-17(13-27-30)19-10-9-15-11-20(29(4)21(15)28-19)22(31)26-12-16-7-5-6-8-18(16)25/h5-11,13-14H,12H2,1-4H3,(H,26,31)
InChIKeyIHDHSZJXIPZDTM-UHFFFAOYSA-N
XLogP4.19
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-O-[[4-[2-[(2-fluorophenyl)methylcarbamoyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]pyrazol-1-yl]methyl] 1-O-methyl butanedioate
CID 178094813
4-O-[[4-[2-[(2-fluorophenyl)methylcarbamoyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]pyrazol-1-yl]methyl] 1-O-methyl (E)-but-2-enedioate
CID 178094835
N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835080
6-[(E)-3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 177124707
methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
CID 162683698
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369670
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 46105471
4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide
CID 42879207

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide (CID 178094824) is 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide is Cn1c(C(=O)NCc2ccccc2F)cc2ccc(-c3cnn(C(=O)C(C)(C)C)c3)nc21.
What is the InChIKey of 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is IHDHSZJXIPZDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-24(2,3)23(32)30-14-17(13-27-30)19-10-9-15-11-20(29(4)21(15)28-19)22(31)26-12-16-7-5-6-8-18(16)25/h5-11,13-14H,12H2,1-4H3,(H,26,31).
What are the key properties of 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?
6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 178094824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).