5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide

C27H28FN5O2 — CID 59215923

IUPAC5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)c3c(C)[nH]c(/C=C4\C(=O)Nc5ccc(F)cc54)c3C)CC2)cn1
InChIInChI=1S/C27H28FN5O2/c1-15-4-6-20(14-29-15)33-10-8-19(9-11-33)31-27(35)25-16(2)24(30-17(25)3)13-22-21-12-18(28)5-7-23(21)32-26(22)34/h4-7,12-14,19,30H,8-11H2,1-3H3,(H,31,35)(H,32,34)/b22-13-
InChIKeyPTPYZFQMMBAHMT-XKZIYDEJSA-N
MW473.55 g/mol
LogP4.37
Rot. Bonds4

About 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide (PubChem CID 59215923) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide
PubChem CID59215923
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)c3c(C)[nH]c(/C=C4\C(=O)Nc5ccc(F)cc54)c3C)CC2)cn1
InChIInChI=1S/C27H28FN5O2/c1-15-4-6-20(14-29-15)33-10-8-19(9-11-33)31-27(35)25-16(2)24(30-17(25)3)13-22-21-12-18(28)5-7-23(21)32-26(22)34/h4-7,12-14,19,30H,8-11H2,1-3H3,(H,31,35)(H,32,34)/b22-13-
InChIKeyPTPYZFQMMBAHMT-XKZIYDEJSA-N
XLogP4.37
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide (CID 59215923) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-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-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide is Cc1ccc(N2CCC(NC(=O)c3c(C)[nH]c(/C=C4\C(=O)Nc5ccc(F)cc54)c3C)CC2)cn1.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is PTPYZFQMMBAHMT-XKZIYDEJSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-15-4-6-20(14-29-15)33-10-8-19(9-11-33)31-27(35)25-16(2)24(30-17(25)3)13-22-21-12-18(28)5-7-23(21)32-26(22)34/h4-7,12-14,19,30H,8-11H2,1-3H3,(H,31,35)(H,32,34)/b22-13-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide?
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 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-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59215923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).