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

C20H18FN5O — CID 171835080

IUPACN-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2CF)cc2ccc(-c3cn[nH]c3)nc21
InChIInChI=1S/C20H18FN5O/c1-26-18(20(27)22-10-15-5-3-2-4-14(15)9-21)8-13-6-7-17(25-19(13)26)16-11-23-24-12-16/h2-8,11-12H,9-10H2,1H3,(H,22,27)(H,23,24)
InChIKeyJJTVMBJRPZIZDA-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.36
Rot. Bonds5

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

N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 171835080) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID171835080
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC NameN-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2CF)cc2ccc(-c3cn[nH]c3)nc21
InChIInChI=1S/C20H18FN5O/c1-26-18(20(27)22-10-15-5-3-2-4-14(15)9-21)8-13-6-7-17(25-19(13)26)16-11-23-24-12-16/h2-8,11-12H,9-10H2,1H3,(H,22,27)(H,23,24)
InChIKeyJJTVMBJRPZIZDA-UHFFFAOYSA-N
XLogP3.36
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 171835145
6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 178094824
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
1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117078336
[(3S)-3-(3-chlorophenyl)morpholin-4-yl]-[1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095065
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-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077939
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787998
N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118663086
N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 157071276

Frequently Asked Questions

What is the IUPAC name of N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 171835080) is N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is Cn1c(C(=O)NCc2ccccc2CF)cc2ccc(-c3cn[nH]c3)nc21.
What is the InChIKey of N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is JJTVMBJRPZIZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-26-18(20(27)22-10-15-5-3-2-4-14(15)9-21)8-13-6-7-17(25-19(13)26)16-11-23-24-12-16/h2-8,11-12H,9-10H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 171835080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).