6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

C33H30FN5O4 — CID 155546880

IUPAC6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCNc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1
InChIInChI=1S/C33H30FN5O4/c1-4-36-25-18-27-23(28(31(41)35-2)29(43-27)19-6-9-21(34)10-7-19)17-22(25)20-8-11-26(42-3)24(16-20)30(40)39-33(12-13-33)32-37-14-5-15-38-32/h5-11,14-18,36H,4,12-13H2,1-3H3,(H,35,41)(H,39,40)
InChIKeyRDPCCBKYRUVARX-UHFFFAOYSA-N
MW579.63 g/mol
LogP5.91
Rot. Bonds9

About 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 155546880) has the molecular formula C33H30FN5O4 and a molecular weight of 579.63 g/mol. Its IUPAC name is 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID155546880
Molecular FormulaC33H30FN5O4
Molecular Weight579.63 g/mol
Exact Mass579.23
IUPAC Name6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCNc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1
InChIInChI=1S/C33H30FN5O4/c1-4-36-25-18-27-23(28(31(41)35-2)29(43-27)19-6-9-21(34)10-7-19)17-22(25)20-8-11-26(42-3)24(16-20)30(40)39-33(12-13-33)32-37-14-5-15-38-32/h5-11,14-18,36H,4,12-13H2,1-3H3,(H,35,41)(H,39,40)
InChIKeyRDPCCBKYRUVARX-UHFFFAOYSA-N
XLogP5.91
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.63
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59275404
CID 59275404
CID 46178246
CID 46178246
CID 134828054
CID 134828054
CID 139030270
CID 139030270
CID 44426974
CID 44426974
CID 59275584
CID 59275584
CID 59505145
CID 59505145
CID 86764196
CID 86764196
CID 71509255
CID 71509255
CID 71509399
CID 71509399
CID 71530498
CID 71530498
CID 71543673
CID 71543673

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 155546880) is 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is CCNc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1.
What is the InChIKey of 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is RDPCCBKYRUVARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN5O4/c1-4-36-25-18-27-23(28(31(41)35-2)29(43-27)19-6-9-21(34)10-7-19)17-22(25)20-8-11-26(42-3)24(16-20)30(40)39-33(12-13-33)32-37-14-5-15-38-32/h5-11,14-18,36H,4,12-13H2,1-3H3,(H,35,41)(H,39,40).
What are the key properties of 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 579.63 g/mol, XLogP of 5.91, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 155546880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).