methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate

C26H31FN4O3 — CID 59988510

IUPACmethyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCCn1c(C(=O)OC)c(-c2ccc(F)cc2)c(-c2ccncc2)c1N(C)CCN1CCOCC1
InChIInChI=1S/C26H31FN4O3/c1-4-31-24(26(32)33-3)22(19-5-7-21(27)8-6-19)23(20-9-11-28-12-10-20)25(31)29(2)13-14-30-15-17-34-18-16-30/h5-12H,4,13-18H2,1-3H3
InChIKeyDEGCGOVAEAMUKW-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.93
Rot. Bonds8

About methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate

methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate (PubChem CID 59988510) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
PubChem CID59988510
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Namemethyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCCn1c(C(=O)OC)c(-c2ccc(F)cc2)c(-c2ccncc2)c1N(C)CCN1CCOCC1
InChIInChI=1S/C26H31FN4O3/c1-4-31-24(26(32)33-3)22(19-5-7-21(27)8-6-19)23(20-9-11-28-12-10-20)25(31)29(2)13-14-30-15-17-34-18-16-30/h5-12H,4,13-18H2,1-3H3
InChIKeyDEGCGOVAEAMUKW-UHFFFAOYSA-N
XLogP3.93
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988520
methyl 5-amino-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988420
methyl 3-(4-fluorophenyl)-1-methyl-5-octyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 142878861
methyl 3-(4-fluorophenyl)-1-methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988435
4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
CID 56946930
[4-(4-fluorophenyl)phenyl] N-[2-[methyl(2-morpholin-4-ylethyl)amino]-1,3-benzoxazol-5-yl]carbamate
CID 69125043
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
methyl 3-(4-fluorophenyl)-1-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988392
methyl 3-[[N-(4-fluorobenzoyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]benzoate
CID 50819477
(2E)-2-(dimethylaminomethylidene)-1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-one
CID 1487673
6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310702
3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82330460

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate (CID 59988510) is methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate is CCn1c(C(=O)OC)c(-c2ccc(F)cc2)c(-c2ccncc2)c1N(C)CCN1CCOCC1.
What is the InChIKey of methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate?
The InChIKey is DEGCGOVAEAMUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-4-31-24(26(32)33-3)22(19-5-7-21(27)8-6-19)23(20-9-11-28-12-10-20)25(31)29(2)13-14-30-15-17-34-18-16-30/h5-12H,4,13-18H2,1-3H3.
What are the key properties of methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate?
methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate has a molecular weight of 466.56 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 59988510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).