2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C27H23FN6O — CID 142474984

IUPAC2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1ncc2cc(-c3ncc4c(ccn4CC4CNCCO4)c3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C27H23FN6O/c1-33-24-5-4-18(10-20(24)13-32-33)27-26(17-2-3-19(12-29)23(28)11-17)22-6-8-34(25(22)15-31-27)16-21-14-30-7-9-35-21/h2-6,8,10-11,13,15,21,30H,7,9,14,16H2,1H3
InChIKeyZOIAKDUWJVYANL-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.26
Rot. Bonds4

About 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 142474984) has the molecular formula C27H23FN6O and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID142474984
Molecular FormulaC27H23FN6O
Molecular Weight466.52 g/mol
Exact Mass466.19
IUPAC Name2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1ncc2cc(-c3ncc4c(ccn4CC4CNCCO4)c3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C27H23FN6O/c1-33-24-5-4-18(10-20(24)13-32-33)27-26(17-2-3-19(12-29)23(28)11-17)22-6-8-34(25(22)15-31-27)16-21-14-30-7-9-35-21/h2-6,8,10-11,13,15,21,30H,7,9,14,16H2,1H3
InChIKeyZOIAKDUWJVYANL-UHFFFAOYSA-N
XLogP4.26
TPSA80.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 142474984) is 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is Cn1ncc2cc(-c3ncc4c(ccn4CC4CNCCO4)c3-c3ccc(C#N)c(F)c3)ccc21.
What is the InChIKey of 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is ZOIAKDUWJVYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O/c1-33-24-5-4-18(10-20(24)13-32-33)27-26(17-2-3-19(12-29)23(28)11-17)22-6-8-34(25(22)15-31-27)16-21-14-30-7-9-35-21/h2-6,8,10-11,13,15,21,30H,7,9,14,16H2,1H3.
What are the key properties of 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 466.52 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-(1-methylindazol-5-yl)-1-(morpholin-2-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 142474984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).