2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide

C35H27FN4O3 — CID 53380451

IUPAC2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccc6ncccc6n5)CC4)ccc3C)cc12
InChIInChI=1S/C35H27FN4O3/c1-20-5-6-23(33(41)40-35(15-16-35)30-14-12-27-28(39-30)4-3-17-38-27)19-25(20)22-9-13-29-26(18-22)31(34(42)37-2)32(43-29)21-7-10-24(36)11-8-21/h3-14,17-19H,15-16H2,1-2H3,(H,37,42)(H,40,41)
InChIKeyBTMVLRBLGJOLCL-UHFFFAOYSA-N
MW570.62 g/mol
LogP6.94
Rot. Bonds6

About 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 53380451) has the molecular formula C35H27FN4O3 and a molecular weight of 570.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
PubChem CID53380451
Molecular FormulaC35H27FN4O3
Molecular Weight570.62 g/mol
Exact Mass570.21
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccc6ncccc6n5)CC4)ccc3C)cc12
InChIInChI=1S/C35H27FN4O3/c1-20-5-6-23(33(41)40-35(15-16-35)30-14-12-27-28(39-30)4-3-17-38-27)19-25(20)22-9-13-29-26(18-22)31(34(42)37-2)32(43-29)21-7-10-24(36)11-8-21/h3-14,17-19H,15-16H2,1-2H3,(H,37,42)(H,40,41)
InChIKeyBTMVLRBLGJOLCL-UHFFFAOYSA-N
XLogP6.94
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 53380451) is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccc6ncccc6n5)CC4)ccc3C)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is BTMVLRBLGJOLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27FN4O3/c1-20-5-6-23(33(41)40-35(15-16-35)30-14-12-27-28(39-30)4-3-17-38-27)19-25(20)22-9-13-29-26(18-22)31(34(42)37-2)32(43-29)21-7-10-24(36)11-8-21/h3-14,17-19H,15-16H2,1-2H3,(H,37,42)(H,40,41).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 570.62 g/mol, XLogP of 6.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 53380451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).