7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile

C24H20FN7O2 — CID 156760014

IUPAC7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile
SMILESCOc1cc2[nH]ncc2cc1-c1cc(NCCn2c(C#N)cc3c(OC)ccc(F)c32)ncn1
InChIInChI=1S/C24H20FN7O2/c1-33-21-4-3-18(25)24-17(21)8-15(11-26)32(24)6-5-27-23-10-20(28-13-29-23)16-7-14-12-30-31-19(14)9-22(16)34-2/h3-4,7-10,12-13H,5-6H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyWAAJBLKHAOOFDW-UHFFFAOYSA-N
MW457.47 g/mol
LogP4.11
Rot. Bonds7

About 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile

7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile (PubChem CID 156760014) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile.

Molecular Properties

Compound Name7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile
PubChem CID156760014
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile
SMILESCOc1cc2[nH]ncc2cc1-c1cc(NCCn2c(C#N)cc3c(OC)ccc(F)c32)ncn1
InChIInChI=1S/C24H20FN7O2/c1-33-21-4-3-18(25)24-17(21)8-15(11-26)32(24)6-5-27-23-10-20(28-13-29-23)16-7-14-12-30-31-19(14)9-22(16)34-2/h3-4,7-10,12-13H,5-6H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyWAAJBLKHAOOFDW-UHFFFAOYSA-N
XLogP4.11
TPSA113.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile?
The IUPAC name of 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile (CID 156760014) is 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile.
What is the SMILES notation for 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile?
The canonical SMILES for 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile is COc1cc2[nH]ncc2cc1-c1cc(NCCn2c(C#N)cc3c(OC)ccc(F)c32)ncn1.
What is the InChIKey of 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile?
The InChIKey is WAAJBLKHAOOFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-33-21-4-3-18(25)24-17(21)8-15(11-26)32(24)6-5-27-23-10-20(28-13-29-23)16-7-14-12-30-31-19(14)9-22(16)34-2/h3-4,7-10,12-13H,5-6H2,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile?
7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile has a molecular weight of 457.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methoxy-1-[2-[[6-(6-methoxy-1H-indazol-5-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile is sourced from PubChem (CID 156760014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).