N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide

C23H24FN5O2 — CID 155351767

IUPACN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12
InChIInChI=1S/C23H24FN5O2/c1-13-10-28(5)23(31)19-18(12-27(4)21(13)19)22(30)25-20-14(2)26-29(15(20)3)11-16-6-8-17(24)9-7-16/h6-10,12H,11H2,1-5H3,(H,25,30)
InChIKeyNCLFSDMQADCVKW-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.44
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide

N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 155351767) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID155351767
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12
InChIInChI=1S/C23H24FN5O2/c1-13-10-28(5)23(31)19-18(12-27(4)21(13)19)22(30)25-20-14(2)26-29(15(20)3)11-16-6-8-17(24)9-7-16/h6-10,12H,11H2,1-5H3,(H,25,30)
InChIKeyNCLFSDMQADCVKW-UHFFFAOYSA-N
XLogP3.44
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4121548
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,8-naphthyridine-4-carboxamide
CID 145209059
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19409797
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methyl-4-oxo-1H-quinoline-8-carboxamide
CID 46975615
6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315458
1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 19447780
5-ethyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 46246339
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-fluorobenzamide
CID 17088813
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19409841
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide
CID 1236021

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide (CID 155351767) is N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is NCLFSDMQADCVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-13-10-28(5)23(31)19-18(12-27(4)21(13)19)22(30)25-20-14(2)26-29(15(20)3)11-16-6-8-17(24)9-7-16/h6-10,12H,11H2,1-5H3,(H,25,30).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155351767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).