7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile

C23H18FN7O — CID 135333077

IUPAC7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile
SMILESCOc1ccc(F)c2c1cc(C#N)n2CCNc1cc(-c2ccc3nccn3c2)ncn1
InChIInChI=1S/C23H18FN7O/c1-32-20-4-3-18(24)23-17(20)10-16(12-25)31(23)9-7-26-21-11-19(28-14-29-21)15-2-5-22-27-6-8-30(22)13-15/h2-6,8,10-11,13-14H,7,9H2,1H3,(H,26,28,29)
InChIKeyHZSFOSYNCXMIHR-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.88
Rot. Bonds6

About 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile

7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile (PubChem CID 135333077) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile.

Molecular Properties

Compound Name7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile
PubChem CID135333077
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC Name7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile
SMILESCOc1ccc(F)c2c1cc(C#N)n2CCNc1cc(-c2ccc3nccn3c2)ncn1
InChIInChI=1S/C23H18FN7O/c1-32-20-4-3-18(24)23-17(20)10-16(12-25)31(23)9-7-26-21-11-19(28-14-29-21)15-2-5-22-27-6-8-30(22)13-15/h2-6,8,10-11,13-14H,7,9H2,1H3,(H,26,28,29)
InChIKeyHZSFOSYNCXMIHR-UHFFFAOYSA-N
XLogP3.88
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile?
The IUPAC name of 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile (CID 135333077) is 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile.
What is the SMILES notation for 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile?
The canonical SMILES for 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile is COc1ccc(F)c2c1cc(C#N)n2CCNc1cc(-c2ccc3nccn3c2)ncn1.
What is the InChIKey of 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile?
The InChIKey is HZSFOSYNCXMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c1-32-20-4-3-18(24)23-17(20)10-16(12-25)31(23)9-7-26-21-11-19(28-14-29-21)15-2-5-22-27-6-8-30(22)13-15/h2-6,8,10-11,13-14H,7,9H2,1H3,(H,26,28,29).
What are the key properties of 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile?
7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile has a molecular weight of 427.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[(6-imidazo[1,2-a]pyridin-6-ylpyrimidin-4-yl)amino]ethyl]-4-methoxyindole-2-carbonitrile is sourced from PubChem (CID 135333077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).