2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide

C82H74F3N9O14 — CID 163657106

About 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide

2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 163657106) has the molecular formula C82H74F3N9O14 and a molecular weight of 1466.54 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 163657106
• Molecular Formula: C82H74F3N9O14
• Molecular Weight: 1466.54 g/mol
• Exact Mass: 1465.53
• IUPAC Name: 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: NCC(=O)c1ccc(F)cc1.O=C(CCC(=O)C1COc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1)c1ccc(F)cc1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccc(F)cc4)[nH]2)CO3)ccn1)C1CC1.O=C(O)C1COc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1
• InChI: InChI=1S/C28H25FN2O5.C27H23FN4O3.C19H18N2O5.C8H8FNO/c29-21-5-3-17(4-6-21)24(32)8-9-25(33)20-13-19-14-22(7-10-26(19)35-16-20)36-23-11-12-30-27(15-23)31-28(34)18-1-2-18;28-20-5-3-16(4-6-20)23-14-30-26(31-23)19-11-18-12-21(7-8-24(18)34-15-19)35-22-9-10-29-25(13-22)32-27(33)17-1-2-17;22-18(11-1-2-11)21-17-9-15(5-6-20-17)26-14-3-4-16-12(8-14)7-13(10-25-16)19(23)24;9-7-3-1-6(2-4-7)8(11)5-10/h3-7,10-12,14-15,18,20H,1-2,8-9,13,16H2,(H,30,31,34);3-10,12-14,17,19H,1-2,11,15H2,(H,30,31)(H,29,32,33);3-6,8-9,11,13H,1-2,7,10H2,(H,23,24)(H,20,21,22);1-4H,5,10H2
• InChIKey: IREXOMLAWFQQKR-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 324.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1466.54
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide (CID 163657106) is 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide is NCC(=O)c1ccc(F)cc1.O=C(CCC(=O)C1COc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1)c1ccc(F)cc1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccc(F)cc4)[nH]2)CO3)ccn1)C1CC1.O=C(O)C1COc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1.

What is the InChIKey of 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is IREXOMLAWFQQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O5.C27H23FN4O3.C19H18N2O5.C8H8FNO/c29-21-5-3-17(4-6-21)24(32)8-9-25(33)20-13-19-14-22(7-10-26(19)35-16-20)36-23-11-12-30-27(15-23)31-28(34)18-1-2-18;28-20-5-3-16(4-6-20)23-14-30-26(31-23)19-11-18-12-21(7-8-24(18)34-15-19)35-22-9-10-29-25(13-22)32-27(33)17-1-2-17;22-18(11-1-2-11)21-17-9-15(5-6-20-17)26-14-3-4-16-12(8-14)7-13(10-25-16)19(23)24;9-7-3-1-6(2-4-7)8(11)5-10/h3-7,10-12,14-15,18,20H,1-2,8-9,13,16H2,(H,30,31,34);3-10,12-14,17,19H,1-2,11,15H2,(H,30,31)(H,29,32,33);3-6,8-9,11,13H,1-2,7,10H2,(H,23,24)(H,20,21,22);1-4H,5,10H2.

What are the key properties of 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide?

2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1466.54 g/mol, XLogP of 14.44, 22 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-(4-fluorophenyl)ethanone;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;N-[4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 163657106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).