(3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one

C25H24N4O2 — CID 10136401

IUPAC(3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one
SMILESCc1c(C(=O)N2CCCCC2)c[nH]c1/C=C1\C(=O)Nc2cccc(-c3ccncc3)c21
InChIInChI=1S/C25H24N4O2/c1-16-20(25(31)29-12-3-2-4-13-29)15-27-22(16)14-19-23-18(17-8-10-26-11-9-17)6-5-7-21(23)28-24(19)30/h5-11,14-15,27H,2-4,12-13H2,1H3,(H,28,30)/b19-14-
InChIKeyZZPFSVWZUUNSBQ-RGEXLXHISA-N
MW412.49 g/mol
LogP4.50
Rot. Bonds3

About (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one

(3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one (PubChem CID 10136401) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one
PubChem CID10136401
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one
SMILESCc1c(C(=O)N2CCCCC2)c[nH]c1/C=C1\C(=O)Nc2cccc(-c3ccncc3)c21
InChIInChI=1S/C25H24N4O2/c1-16-20(25(31)29-12-3-2-4-13-29)15-27-22(16)14-19-23-18(17-8-10-26-11-9-17)6-5-7-21(23)28-24(19)30/h5-11,14-15,27H,2-4,12-13H2,1H3,(H,28,30)/b19-14-
InChIKeyZZPFSVWZUUNSBQ-RGEXLXHISA-N
XLogP4.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 72637563
3-[[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-[3-(2-hydroxyethyl)phenyl]-1H-indol-2-one
CID 91198061
5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 70938094
ethyl 3-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
CID 20597176
(3Z)-4-(4-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 10162527
4-(3-chlorophenyl)-3-[[5-methyl-3-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 72637552
(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 25218046
2-[3-[(3Z)-3-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid
CID 142153330
3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-(3-fluorophenyl)-1H-indol-2-one
CID 24942647
2-[[4-(4-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxylic acid
CID 72637622
5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide
CID 142153272
2-methyl-5-[(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-4-phenyl-N-pyridin-4-yl-1H-pyrrole-3-carboxamide;4-pyridin-4-yl-1,3-dihydroindol-2-one
CID 159883510

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one (CID 10136401) is (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one is Cc1c(C(=O)N2CCCCC2)c[nH]c1/C=C1\C(=O)Nc2cccc(-c3ccncc3)c21.
What is the InChIKey of (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one?
The InChIKey is ZZPFSVWZUUNSBQ-RGEXLXHISA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-20(25(31)29-12-3-2-4-13-29)15-27-22(16)14-19-23-18(17-8-10-26-11-9-17)6-5-7-21(23)28-24(19)30/h5-11,14-15,27H,2-4,12-13H2,1H3,(H,28,30)/b19-14-.
What are the key properties of (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one?
(3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one has a molecular weight of 412.49 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one is sourced from PubChem (CID 10136401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).