6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole

C29H24F2N6O — CID 71516819

IUPAC6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole
SMILESFC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(F)CN7)cc6o5)cn4)[nH]c3c2)NC1
InChIInChI=1S/C29H24F2N6O/c30-21-12-33-28(34-13-21)18-3-1-16-7-25(37-24(16)8-18)23-6-5-20(11-32-23)27-9-17-2-4-19(10-26(17)38-27)29-35-14-22(31)15-36-29/h1-11,21-22,37H,12-15H2,(H,33,34)(H,35,36)
InChIKeyJWTOOWJMTUJDRX-UHFFFAOYSA-N
MW510.55 g/mol
LogP5.02
Rot. Bonds4

About 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole

6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole (PubChem CID 71516819) has the molecular formula C29H24F2N6O and a molecular weight of 510.55 g/mol. Its IUPAC name is 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole.

Molecular Properties

Compound Name6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole
PubChem CID71516819
Molecular FormulaC29H24F2N6O
Molecular Weight510.55 g/mol
Exact Mass510.20
IUPAC Name6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole
SMILESFC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(F)CN7)cc6o5)cn4)[nH]c3c2)NC1
InChIInChI=1S/C29H24F2N6O/c30-21-12-33-28(34-13-21)18-3-1-16-7-25(37-24(16)8-18)23-6-5-20(11-32-23)27-9-17-2-4-19(10-26(17)38-27)29-35-14-22(31)15-36-29/h1-11,21-22,37H,12-15H2,(H,33,34)(H,35,36)
InChIKeyJWTOOWJMTUJDRX-UHFFFAOYSA-N
XLogP5.02
TPSA90.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole?
The IUPAC name of 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole (CID 71516819) is 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole.
What is the SMILES notation for 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole?
The canonical SMILES for 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole is FC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(F)CN7)cc6o5)cn4)[nH]c3c2)NC1.
What is the InChIKey of 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole?
The InChIKey is JWTOOWJMTUJDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N6O/c30-21-12-33-28(34-13-21)18-3-1-16-7-25(37-24(16)8-18)23-6-5-20(11-32-23)27-9-17-2-4-19(10-26(17)38-27)29-35-14-22(31)15-36-29/h1-11,21-22,37H,12-15H2,(H,33,34)(H,35,36).
What are the key properties of 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole?
6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole has a molecular weight of 510.55 g/mol, XLogP of 5.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-2-pyridinyl]-1H-indole is sourced from PubChem (CID 71516819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).