ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate

C22H27N5O2 — CID 10644296

IUPACethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(N3CCCC3)nc(N3CCCC3)nc1n2C
InChIInChI=1S/C22H27N5O2/c1-3-29-21(28)15-8-9-17-16(14-15)18-19(25(17)2)23-22(27-12-6-7-13-27)24-20(18)26-10-4-5-11-26/h8-9,14H,3-7,10-13H2,1-2H3
InChIKeyJMLXXPLDRVOJGR-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.50
Rot. Bonds4

About ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate

ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate (PubChem CID 10644296) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate.

Molecular Properties

Compound Nameethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate
PubChem CID10644296
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Nameethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(N3CCCC3)nc(N3CCCC3)nc1n2C
InChIInChI=1S/C22H27N5O2/c1-3-29-21(28)15-8-9-17-16(14-15)18-19(25(17)2)23-22(27-12-6-7-13-27)24-20(18)26-10-4-5-11-26/h8-9,14H,3-7,10-13H2,1-2H3
InChIKeyJMLXXPLDRVOJGR-UHFFFAOYSA-N
XLogP3.50
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide
CID 18981251
ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate
CID 90128434
ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
CID 156597825
ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 91960999
ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 10401684
ethyl 1-formylindole-5-carboxylate
CID 139975474
ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
CID 18681035
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide
CID 139683395
diethyl 4-oxoquinoline-1,6-dicarboxylate
CID 132565800
ethyl 4-amino-3-thiomorpholin-4-ylbenzoate
CID 82791433

Frequently Asked Questions

What is the IUPAC name of ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate?
The IUPAC name of ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate (CID 10644296) is ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate.
What is the SMILES notation for ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate?
The canonical SMILES for ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate is CCOC(=O)c1ccc2c(c1)c1c(N3CCCC3)nc(N3CCCC3)nc1n2C.
What is the InChIKey of ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate?
The InChIKey is JMLXXPLDRVOJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-29-21(28)15-8-9-17-16(14-15)18-19(25(17)2)23-22(27-12-6-7-13-27)24-20(18)26-10-4-5-11-26/h8-9,14H,3-7,10-13H2,1-2H3.
What are the key properties of ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate?
ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate is sourced from PubChem (CID 10644296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).