ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate

C23H27N5O4 — CID 661701

IUPACethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H27N5O4/c1-3-32-23(30)22-21(17-14-16(31-2)7-8-18(17)25-22)26-20(29)15-27-10-12-28(13-11-27)19-6-4-5-9-24-19/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,26,29)
InChIKeyZMNOFWQZGBGQQO-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.51
Rot. Bonds7

About ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate

ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate (PubChem CID 661701) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
PubChem CID661701
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Nameethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H27N5O4/c1-3-32-23(30)22-21(17-14-16(31-2)7-8-18(17)25-22)26-20(29)15-27-10-12-28(13-11-27)19-6-4-5-9-24-19/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,26,29)
InChIKeyZMNOFWQZGBGQQO-UHFFFAOYSA-N
XLogP2.51
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate (CID 661701) is ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate?
The InChIKey is ZMNOFWQZGBGQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-3-32-23(30)22-21(17-14-16(31-2)7-8-18(17)25-22)26-20(29)15-27-10-12-28(13-11-27)19-6-4-5-9-24-19/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,26,29).
What are the key properties of ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate?
ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 661701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).