4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile

C26H23FN6 — CID 142474852

IUPAC4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile
SMILESCN(C)CCn1ccc2c(-c3ccc(C#N)c(F)c3)c(-c3ccc4c(cnn4C)c3)ncc21
InChIInChI=1S/C26H23FN6/c1-31(2)10-11-33-9-8-21-24(33)16-29-26(18-6-7-23-20(12-18)15-30-32(23)3)25(21)17-4-5-19(14-28)22(27)13-17/h4-9,12-13,15-16H,10-11H2,1-3H3
InChIKeyYQLIEFYUIFGWQI-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.83
Rot. Bonds5

About 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile

4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile (PubChem CID 142474852) has the molecular formula C26H23FN6 and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile
PubChem CID142474852
Molecular FormulaC26H23FN6
Molecular Weight438.51 g/mol
Exact Mass438.20
IUPAC Name4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile
SMILESCN(C)CCn1ccc2c(-c3ccc(C#N)c(F)c3)c(-c3ccc4c(cnn4C)c3)ncc21
InChIInChI=1S/C26H23FN6/c1-31(2)10-11-33-9-8-21-24(33)16-29-26(18-6-7-23-20(12-18)15-30-32(23)3)25(21)17-4-5-19(14-28)22(27)13-17/h4-9,12-13,15-16H,10-11H2,1-3H3
InChIKeyYQLIEFYUIFGWQI-UHFFFAOYSA-N
XLogP4.83
TPSA62.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile (CID 142474852) is 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile is CN(C)CCn1ccc2c(-c3ccc(C#N)c(F)c3)c(-c3ccc4c(cnn4C)c3)ncc21.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile?
The InChIKey is YQLIEFYUIFGWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6/c1-31(2)10-11-33-9-8-21-24(33)16-29-26(18-6-7-23-20(12-18)15-30-32(23)3)25(21)17-4-5-19(14-28)22(27)13-17/h4-9,12-13,15-16H,10-11H2,1-3H3.
What are the key properties of 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile?
4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile has a molecular weight of 438.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)ethyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 142474852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).