propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate

C35H33N5O4 — CID 71204172

IUPACpropyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate
SMILESCCCOC(=O)c1cccc2c(C3=C(c4cn(C5CCN(Cc6ccccn6)CC5)c5ccccc45)C(=O)NC3=O)c[nH]c12
InChIInChI=1S/C35H33N5O4/c1-2-18-44-35(43)26-11-7-10-25-27(19-37-32(25)26)30-31(34(42)38-33(30)41)28-21-40(29-12-4-3-9-24(28)29)23-13-16-39(17-14-23)20-22-8-5-6-15-36-22/h3-12,15,19,21,23,37H,2,13-14,16-18,20H2,1H3,(H,38,41,42)
InChIKeyDYHIQFTWOGAYNV-UHFFFAOYSA-N
MW587.68 g/mol
LogP5.49
Rot. Bonds8

About propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate

propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate (PubChem CID 71204172) has the molecular formula C35H33N5O4 and a molecular weight of 587.68 g/mol. Its IUPAC name is propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate.

Molecular Properties

Compound Namepropyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate
PubChem CID71204172
Molecular FormulaC35H33N5O4
Molecular Weight587.68 g/mol
Exact Mass587.25
IUPAC Namepropyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate
SMILESCCCOC(=O)c1cccc2c(C3=C(c4cn(C5CCN(Cc6ccccn6)CC5)c5ccccc45)C(=O)NC3=O)c[nH]c12
InChIInChI=1S/C35H33N5O4/c1-2-18-44-35(43)26-11-7-10-25-27(19-37-32(25)26)30-31(34(42)38-33(30)41)28-21-40(29-12-4-3-9-24(28)29)23-13-16-39(17-14-23)20-22-8-5-6-15-36-22/h3-12,15,19,21,23,37H,2,13-14,16-18,20H2,1H3,(H,38,41,42)
InChIKeyDYHIQFTWOGAYNV-UHFFFAOYSA-N
XLogP5.49
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate with MolForge

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Related Compounds

3-(1-ethylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione
CID 171922313
3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione;hydrate;hydrochloride
CID 86278309
1-deuterio-3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione
CID 25216931
3-(3-chloro-4-hydroxyanilino)-4-(2-nitrophenyl)pyrrole-2,5-dione;3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione
CID 11983300
oxolan-2-ylmethyl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
CID 71502409
propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
CID 71204210
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione
CID 11987586
2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
CID 71204204
3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione
CID 69268622
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42291359
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400

Frequently Asked Questions

What is the IUPAC name of propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate?
The IUPAC name of propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate (CID 71204172) is propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate.
What is the SMILES notation for propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate?
The canonical SMILES for propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate is CCCOC(=O)c1cccc2c(C3=C(c4cn(C5CCN(Cc6ccccn6)CC5)c5ccccc45)C(=O)NC3=O)c[nH]c12.
What is the InChIKey of propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate?
The InChIKey is DYHIQFTWOGAYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O4/c1-2-18-44-35(43)26-11-7-10-25-27(19-37-32(25)26)30-31(34(42)38-33(30)41)28-21-40(29-12-4-3-9-24(28)29)23-13-16-39(17-14-23)20-22-8-5-6-15-36-22/h3-12,15,19,21,23,37H,2,13-14,16-18,20H2,1H3,(H,38,41,42).
What are the key properties of propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate?
propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate has a molecular weight of 587.68 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[2,5-dioxo-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrol-3-yl]-1H-indole-7-carboxylate is sourced from PubChem (CID 71204172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).