N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C53H66F2N8O10 — CID 161441768

About N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 161441768) has the molecular formula C53H66F2N8O10 and a molecular weight of 1013.15 g/mol. Its IUPAC name is N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 161441768
• Molecular Formula: C53H66F2N8O10
• Molecular Weight: 1013.15 g/mol
• Exact Mass: 1012.49
• IUPAC Name: N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: CCN(CC)C(=O)C[C@H](O)C[C@H](O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC[C@@H](O)C[C@@H](O)CC(=O)NC1CC1
• InChI: InChI=1S/C27H35FN4O5.C26H31FN4O5/c1-5-32(6-2)24(35)13-19(34)12-18(33)9-10-29-27(37)25-15(3)23(30-16(25)4)14-21-20-11-17(28)7-8-22(20)31-26(21)36;1-13-22(12-20-19-9-15(27)3-6-21(19)31-25(20)35)29-14(2)24(13)26(36)28-8-7-17(32)10-18(33)11-23(34)30-16-4-5-16/h7-8,11,14,18-19,30,33-34H,5-6,9-10,12-13H2,1-4H3,(H,29,37)(H,31,36);3,6,9,12,16-18,29,32-33H,4-5,7-8,10-11H2,1-2H3,(H,28,36)(H,30,34)(H,31,35)/b21-14-;20-12-/t18-,19-;17-,18-/m11/s1
• InChIKey: VZJGBZKXSOBHFW-WOFBDNGXSA-N
• XLogP: 4.92
• TPSA: 278.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.15
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 161441768) is N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)C(=O)C[C@H](O)C[C@H](O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC[C@@H](O)C[C@@H](O)CC(=O)NC1CC1.

What is the InChIKey of N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is VZJGBZKXSOBHFW-WOFBDNGXSA-N. The full InChI is InChI=1S/C27H35FN4O5.C26H31FN4O5/c1-5-32(6-2)24(35)13-19(34)12-18(33)9-10-29-27(37)25-15(3)23(30-16(25)4)14-21-20-11-17(28)7-8-22(20)31-26(21)36;1-13-22(12-20-19-9-15(27)3-6-21(19)31-25(20)35)29-14(2)24(13)26(36)28-8-7-17(32)10-18(33)11-23(34)30-16-4-5-16/h7-8,11,14,18-19,30,33-34H,5-6,9-10,12-13H2,1-4H3,(H,29,37)(H,31,36);3,6,9,12,16-18,29,32-33H,4-5,7-8,10-11H2,1-2H3,(H,28,36)(H,30,34)(H,31,35)/b21-14-;20-12-/t18-,19-;17-,18-/m11/s1.

What are the key properties of N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 1013.15 g/mol, XLogP of 4.92, 21 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,5R)-7-(cyclopropylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 161441768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).