5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide

C23H27FN4O2 — CID 5329107

IUPAC5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C23H27FN4O2/c1-13-20(11-18-17-10-16(24)4-5-19(17)27-22(18)29)26-14(2)21(13)23(30)25-12-15-6-8-28(3)9-7-15/h4-5,10-11,15,26H,6-9,12H2,1-3H3,(H,25,30)(H,27,29)/b18-11-
InChIKeyQILQUYGQJMWOFT-WQRHYEAKSA-N
MW410.49 g/mol
LogP3.33
Rot. Bonds4

About 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 5329107) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID5329107
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C23H27FN4O2/c1-13-20(11-18-17-10-16(24)4-5-19(17)27-22(18)29)26-14(2)21(13)23(30)25-12-15-6-8-28(3)9-7-15/h4-5,10-11,15,26H,6-9,12H2,1-3H3,(H,25,30)(H,27,29)/b18-11-
InChIKeyQILQUYGQJMWOFT-WQRHYEAKSA-N
XLogP3.33
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide (CID 5329107) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC1CCN(C)CC1.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is QILQUYGQJMWOFT-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-13-20(11-18-17-10-16(24)4-5-19(17)27-22(18)29)26-14(2)21(13)23(30)25-12-15-6-8-28(3)9-7-15/h4-5,10-11,15,26H,6-9,12H2,1-3H3,(H,25,30)(H,27,29)/b18-11-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 5329107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).