1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide

C26H21FN4O2 — CID 118671896

IUPAC1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide
SMILESCc1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N(C)Cc3ccco3)ccc12
InChIInChI=1S/C26H21FN4O2/c1-17-15-31(26-28-13-19(14-29-26)22-7-3-4-8-23(22)27)24-12-18(9-10-21(17)24)25(32)30(2)16-20-6-5-11-33-20/h3-15H,16H2,1-2H3
InChIKeyPJMPOXWEZOBRON-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.40
Rot. Bonds5

About 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide

1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide (PubChem CID 118671896) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide
PubChem CID118671896
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide
SMILESCc1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N(C)Cc3ccco3)ccc12
InChIInChI=1S/C26H21FN4O2/c1-17-15-31(26-28-13-19(14-29-26)22-7-3-4-8-23(22)27)24-12-18(9-10-21(17)24)25(32)30(2)16-20-6-5-11-33-20/h3-15H,16H2,1-2H3
InChIKeyPJMPOXWEZOBRON-UHFFFAOYSA-N
XLogP5.40
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide (CID 118671896) is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide is Cc1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N(C)Cc3ccco3)ccc12.
What is the InChIKey of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide?
The InChIKey is PJMPOXWEZOBRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-17-15-31(26-28-13-19(14-29-26)22-7-3-4-8-23(22)27)24-12-18(9-10-21(17)24)25(32)30(2)16-20-6-5-11-33-20/h3-15H,16H2,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide?
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(furan-2-ylmethyl)-N,3-dimethylindole-6-carboxamide is sourced from PubChem (CID 118671896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).