N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H22FN5O2 — CID 178094834

IUPACN-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1c(-c2ccc3cc(C(=O)NCc4ccccc4F)[nH]c3n2)cnn1C(=O)C(C)C
InChIInChI=1S/C23H22FN5O2/c1-13(2)23(31)29-14(3)17(12-26-29)19-9-8-15-10-20(28-21(15)27-19)22(30)25-11-16-6-4-5-7-18(16)24/h4-10,12-13H,11H2,1-3H3,(H,25,30)(H,27,28)
InChIKeyMZTTWFJXKXYNEC-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.10
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 178094834) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID178094834
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1c(-c2ccc3cc(C(=O)NCc4ccccc4F)[nH]c3n2)cnn1C(=O)C(C)C
InChIInChI=1S/C23H22FN5O2/c1-13(2)23(31)29-14(3)17(12-26-29)19-9-8-15-10-20(28-21(15)27-19)22(30)25-11-16-6-4-5-7-18(16)24/h4-10,12-13H,11H2,1-3H3,(H,25,30)(H,27,28)
InChIKeyMZTTWFJXKXYNEC-UHFFFAOYSA-N
XLogP4.10
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3321903
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080214
N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
CID 113207305
N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926774
3-N-[(2-fluorophenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105337

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 178094834) is N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1c(-c2ccc3cc(C(=O)NCc4ccccc4F)[nH]c3n2)cnn1C(=O)C(C)C.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is MZTTWFJXKXYNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-13(2)23(31)29-14(3)17(12-26-29)19-9-8-15-10-20(28-21(15)27-19)22(30)25-11-16-6-4-5-7-18(16)24/h4-10,12-13H,11H2,1-3H3,(H,25,30)(H,27,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 178094834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).