5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile

C24H18FN5S — CID 167237574

IUPAC5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile
SMILESCNCc1cc(C)c(-c2cc3c(-c4cc5cnccc5s4)n[nH]c3cc2C#N)c(F)c1
InChIInChI=1S/C24H18FN5S/c1-13-5-14(11-27-2)6-19(25)23(13)17-9-18-20(7-15(17)10-26)29-30-24(18)22-8-16-12-28-4-3-21(16)31-22/h3-9,12,27H,11H2,1-2H3,(H,29,30)
InChIKeyGCHWNHWTIUIJOU-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.55
Rot. Bonds4

About 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile

5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile (PubChem CID 167237574) has the molecular formula C24H18FN5S and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile
PubChem CID167237574
Molecular FormulaC24H18FN5S
Molecular Weight427.51 g/mol
Exact Mass427.13
IUPAC Name5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile
SMILESCNCc1cc(C)c(-c2cc3c(-c4cc5cnccc5s4)n[nH]c3cc2C#N)c(F)c1
InChIInChI=1S/C24H18FN5S/c1-13-5-14(11-27-2)6-19(25)23(13)17-9-18-20(7-15(17)10-26)29-30-24(18)22-8-16-12-28-4-3-21(16)31-22/h3-9,12,27H,11H2,1-2H3,(H,29,30)
InChIKeyGCHWNHWTIUIJOU-UHFFFAOYSA-N
XLogP5.55
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile?
The IUPAC name of 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile (CID 167237574) is 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile.
What is the SMILES notation for 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile?
The canonical SMILES for 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile is CNCc1cc(C)c(-c2cc3c(-c4cc5cnccc5s4)n[nH]c3cc2C#N)c(F)c1.
What is the InChIKey of 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile?
The InChIKey is GCHWNHWTIUIJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5S/c1-13-5-14(11-27-2)6-19(25)23(13)17-9-18-20(7-15(17)10-26)29-30-24(18)22-8-16-12-28-4-3-21(16)31-22/h3-9,12,27H,11H2,1-2H3,(H,29,30).
What are the key properties of 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile?
5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile is sourced from PubChem (CID 167237574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).