6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide

C18H18F2N4O — CID 142427985

IUPAC6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide
SMILESCCc1c(F)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12
InChIInChI=1S/C18H18F2N4O/c1-4-10-12-7-9(8-22-17(12)23-16(10)20)11-5-6-13(21)14(15(11)19)18(25)24(2)3/h5-8H,4,21H2,1-3H3,(H,22,23)
InChIKeyRNLCQNXNNPQPQP-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.35
Rot. Bonds3

About 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide

6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide (PubChem CID 142427985) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide
PubChem CID142427985
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide
SMILESCCc1c(F)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12
InChIInChI=1S/C18H18F2N4O/c1-4-10-12-7-9(8-22-17(12)23-16(10)20)11-5-6-13(21)14(15(11)19)18(25)24(2)3/h5-8H,4,21H2,1-3H3,(H,22,23)
InChIKeyRNLCQNXNNPQPQP-UHFFFAOYSA-N
XLogP3.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Y-39983
CID 11507964
Gsk2656157
CID 53469059
PF-Akt400
CID 25061501
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
Gsk-2606414
CID 53469448
N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo(2,3-b)pyridin-2-yl)-1H-indole-5-carboxamide
CID 9968957
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57519740
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
CID 146536490
(S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-2,4-difluorobenzamide
CID 46838190

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide (CID 142427985) is 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide is CCc1c(F)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12.
What is the InChIKey of 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide?
The InChIKey is RNLCQNXNNPQPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-4-10-12-7-9(8-22-17(12)23-16(10)20)11-5-6-13(21)14(15(11)19)18(25)24(2)3/h5-8H,4,21H2,1-3H3,(H,22,23).
What are the key properties of 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide?
6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 344.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 142427985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).