ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate

C26H29N5O4 — CID 20784535

IUPACethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccnc3[nH]c(-c4cn(C)c5ccc(OC)cc45)cc23)CC1
InChIInChI=1S/C26H29N5O4/c1-4-35-26(33)31-11-8-16(9-12-31)28-25(32)18-7-10-27-24-20(18)14-22(29-24)21-15-30(2)23-6-5-17(34-3)13-19(21)23/h5-7,10,13-16H,4,8-9,11-12H2,1-3H3,(H,27,29)(H,28,32)
InChIKeyXPTTWKKAOWRJIU-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.08
Rot. Bonds5

About ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 20784535) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID20784535
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Nameethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccnc3[nH]c(-c4cn(C)c5ccc(OC)cc45)cc23)CC1
InChIInChI=1S/C26H29N5O4/c1-4-35-26(33)31-11-8-16(9-12-31)28-25(32)18-7-10-27-24-20(18)14-22(29-24)21-15-30(2)23-6-5-17(34-3)13-19(21)23/h5-7,10,13-16H,4,8-9,11-12H2,1-3H3,(H,27,29)(H,28,32)
InChIKeyXPTTWKKAOWRJIU-UHFFFAOYSA-N
XLogP4.08
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate (CID 20784535) is ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccnc3[nH]c(-c4cn(C)c5ccc(OC)cc45)cc23)CC1.
What is the InChIKey of ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is XPTTWKKAOWRJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-4-35-26(33)31-11-8-16(9-12-31)28-25(32)18-7-10-27-24-20(18)14-22(29-24)21-15-30(2)23-6-5-17(34-3)13-19(21)23/h5-7,10,13-16H,4,8-9,11-12H2,1-3H3,(H,27,29)(H,28,32).
What are the key properties of ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 475.55 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 20784535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).