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

C24H28FN5O3 — CID 44545525

IUPAC5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(=O)NCC1CCNCC1
InChIInChI=1S/C24H28FN5O3/c1-13-20(10-18-17-9-16(25)3-4-19(17)30-23(18)32)29-14(2)22(13)24(33)28-12-21(31)27-11-15-5-7-26-8-6-15/h3-4,9-10,15,26,29H,5-8,11-12H2,1-2H3,(H,27,31)(H,28,33)(H,30,32)/b18-10-
InChIKeyBBFJZAKHNKYHGG-ZDLGFXPLSA-N
MW453.52 g/mol
LogP2.11
Rot. Bonds6

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

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 44545525) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID44545525
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(=O)NCC1CCNCC1
InChIInChI=1S/C24H28FN5O3/c1-13-20(10-18-17-9-16(25)3-4-19(17)30-23(18)32)29-14(2)22(13)24(33)28-12-21(31)27-11-15-5-7-26-8-6-15/h3-4,9-10,15,26,29H,5-8,11-12H2,1-2H3,(H,27,31)(H,28,33)(H,30,32)/b18-10-
InChIKeyBBFJZAKHNKYHGG-ZDLGFXPLSA-N
XLogP2.11
TPSA115.12 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide with MolForge

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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-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide (CID 44545525) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-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-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(=O)NCC1CCNCC1.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is BBFJZAKHNKYHGG-ZDLGFXPLSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-13-20(10-18-17-9-16(25)3-4-19(17)30-23(18)32)29-14(2)22(13)24(33)28-12-21(31)27-11-15-5-7-26-8-6-15/h3-4,9-10,15,26,29H,5-8,11-12H2,1-2H3,(H,27,31)(H,28,33)(H,30,32)/b18-10-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide?
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.11, 6 rotatable bonds, 5 hydrogen bond donors, and 4 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-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 44545525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).