2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

C19H16F4N4 — CID 122654600

IUPAC2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc(-n2c(CCCF)cc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C19H16F4N4/c1-11-7-15(9-13-10-24-26-17(11)13)27-14(3-2-6-20)8-12-4-5-16(19(21,22)23)25-18(12)27/h4-5,7-10H,2-3,6H2,1H3,(H,24,26)
InChIKeyGTLFWFIRDVJXEQ-UHFFFAOYSA-N
MW376.36 g/mol
LogP5.13
Rot. Bonds4

About 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 122654600) has the molecular formula C19H16F4N4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
PubChem CID122654600
Molecular FormulaC19H16F4N4
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc(-n2c(CCCF)cc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C19H16F4N4/c1-11-7-15(9-13-10-24-26-17(11)13)27-14(3-2-6-20)8-12-4-5-16(19(21,22)23)25-18(12)27/h4-5,7-10H,2-3,6H2,1H3,(H,24,26)
InChIKeyGTLFWFIRDVJXEQ-UHFFFAOYSA-N
XLogP5.13
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.36
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
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Ly-2584702
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N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
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N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
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N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
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CID 23647348
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
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1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
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US10485800, Cmpd ID FS
CID 54765268
2-methyl-2-(3-(3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)butan-1-amine
CID 57969770
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473368

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 122654600) is 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is Cc1cc(-n2c(CCCF)cc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12.
What is the InChIKey of 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is GTLFWFIRDVJXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4/c1-11-7-15(9-13-10-24-26-17(11)13)27-14(3-2-6-20)8-12-4-5-16(19(21,22)23)25-18(12)27/h4-5,7-10H,2-3,6H2,1H3,(H,24,26).
What are the key properties of 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 376.36 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122654600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).