5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide

C24H27N5O2 — CID 144728279

IUPAC5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
SMILESCCC(C)n1cc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)NC)c2C)C(=O)N3)cn1
InChIInChI=1S/C24H27N5O2/c1-6-13(2)29-12-17(11-26-29)16-7-8-20-18(9-16)19(23(30)28-20)10-21-14(3)22(15(4)27-21)24(31)25-5/h7-13,27H,6H2,1-5H3,(H,25,31)(H,28,30)/b19-10-
InChIKeyAICKPTYUXHHEOH-GRSHGNNSSA-N
MW417.51 g/mol
LogP4.32
Rot. Bonds5

About 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide

5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide (PubChem CID 144728279) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
PubChem CID144728279
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
SMILESCCC(C)n1cc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)NC)c2C)C(=O)N3)cn1
InChIInChI=1S/C24H27N5O2/c1-6-13(2)29-12-17(11-26-29)16-7-8-20-18(9-16)19(23(30)28-20)10-21-14(3)22(15(4)27-21)24(31)25-5/h7-13,27H,6H2,1-5H3,(H,25,31)(H,28,30)/b19-10-
InChIKeyAICKPTYUXHHEOH-GRSHGNNSSA-N
XLogP4.32
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[5-[1-(4-methylphenyl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 123412436
2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride
CID 127036535
(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpyrazol-4-yl)-1H-indol-2-one
CID 147399703
2,4-dimethyl-5-[[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyrrole-3-carboxamide
CID 123519850
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 86268470
(3Z)-3-[[3,5-dimethyl-4-(2-piperidin-4-ylacetyl)-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpyrazol-4-yl)-1H-indol-2-one
CID 157315702
(3Z)-3-[[3,5-dimethyl-4-[3-[(2S)-pyrrolidin-2-yl]propanoyl]-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpyrazol-4-yl)-1H-indol-2-one
CID 158779114
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[5-(5-methyl-1-phenylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 123700003
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 123324881
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(2-pyridin-4-ylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 123165453
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(3-hydroxybutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 143059254
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-oxohexan-3-yl)-1H-pyrrole-3-carboxamide
CID 118890921

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide (CID 144728279) is 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide is CCC(C)n1cc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)NC)c2C)C(=O)N3)cn1.
What is the InChIKey of 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is AICKPTYUXHHEOH-GRSHGNNSSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-6-13(2)29-12-17(11-26-29)16-7-8-20-18(9-16)19(23(30)28-20)10-21-14(3)22(15(4)27-21)24(31)25-5/h7-13,27H,6H2,1-5H3,(H,25,31)(H,28,30)/b19-10-.
What are the key properties of 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide?
5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 144728279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).