4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide

C34H25F2N5O3 — CID 53380767

IUPAC4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncc6cnccc6n5)CC4)ccc3C)c(F)c12
InChIInChI=1S/C34H25F2N5O3/c1-18-3-4-20(31(42)41-34(12-13-34)33-39-17-21-16-38-14-11-25(21)40-33)15-24(18)23-9-10-26-27(29(23)36)28(32(43)37-2)30(44-26)19-5-7-22(35)8-6-19/h3-11,14-17H,12-13H2,1-2H3,(H,37,43)(H,41,42)
InChIKeyVWHLCCYGCSPGGT-UHFFFAOYSA-N
MW589.60 g/mol
LogP6.47
Rot. Bonds6

About 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 53380767) has the molecular formula C34H25F2N5O3 and a molecular weight of 589.60 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
PubChem CID53380767
Molecular FormulaC34H25F2N5O3
Molecular Weight589.60 g/mol
Exact Mass589.19
IUPAC Name4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncc6cnccc6n5)CC4)ccc3C)c(F)c12
InChIInChI=1S/C34H25F2N5O3/c1-18-3-4-20(31(42)41-34(12-13-34)33-39-17-21-16-38-14-11-25(21)40-33)15-24(18)23-9-10-26-27(29(23)36)28(32(43)37-2)30(44-26)19-5-7-22(35)8-6-19/h3-11,14-17H,12-13H2,1-2H3,(H,37,43)(H,41,42)
InChIKeyVWHLCCYGCSPGGT-UHFFFAOYSA-N
XLogP6.47
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.60
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 53380767) is 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncc6cnccc6n5)CC4)ccc3C)c(F)c12.
What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is VWHLCCYGCSPGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N5O3/c1-18-3-4-20(31(42)41-34(12-13-34)33-39-17-21-16-38-14-11-25(21)40-33)15-24(18)23-9-10-26-27(29(23)36)28(32(43)37-2)30(44-26)19-5-7-22(35)8-6-19/h3-11,14-17H,12-13H2,1-2H3,(H,37,43)(H,41,42).
What are the key properties of 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 589.60 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrido[4,3-d]pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 53380767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).