1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone

C27H29FN4O2 — CID 161209903

IUPAC1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone
SMILESCc1cc(CC(=O)c2ccn(-c3ccc(F)cn3)c2)cnc1C1=CCC(N2CCOCC2)CC1
InChIInChI=1S/C27H29FN4O2/c1-19-14-20(15-25(33)22-8-9-32(18-22)26-7-4-23(28)17-29-26)16-30-27(19)21-2-5-24(6-3-21)31-10-12-34-13-11-31/h2,4,7-9,14,16-18,24H,3,5-6,10-13,15H2,1H3
InChIKeyUWCFBJXQLHYTPD-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.41
Rot. Bonds6

About 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone

1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone (PubChem CID 161209903) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone
PubChem CID161209903
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone
SMILESCc1cc(CC(=O)c2ccn(-c3ccc(F)cn3)c2)cnc1C1=CCC(N2CCOCC2)CC1
InChIInChI=1S/C27H29FN4O2/c1-19-14-20(15-25(33)22-8-9-32(18-22)26-7-4-23(28)17-29-26)16-30-27(19)21-2-5-24(6-3-21)31-10-12-34-13-11-31/h2,4,7-9,14,16-18,24H,3,5-6,10-13,15H2,1H3
InChIKeyUWCFBJXQLHYTPD-UHFFFAOYSA-N
XLogP4.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone
CID 146854715
1-[1-(4-tert-butylphenyl)-5-methylpyrazol-4-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone
CID 161422134
6-(4-morpholin-4-ylcyclohexen-1-yl)pyridin-3-amine
CID 86692452
1-(5-cyclopropyl-2-pyridinyl)-5-methyl-N-[6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]pyrazole-4-carboxamide;methanesulfonic acid
CID 86692564
2-(aminomethylidene)-N-[5-methoxy-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-3-[4-(trifluoromethyl)cycloocta-1,3,5-trien-1-yl]iminobutanamide
CID 162560960
N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide
CID 160578842
2-(4-fluoro-2-methylphenyl)-4-morpholin-4-ylpiperidine-1-carboxamide
CID 142832547
4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390373
4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine
CID 167987540
2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid
CID 144512177
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80637179

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone (CID 161209903) is 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone is Cc1cc(CC(=O)c2ccn(-c3ccc(F)cn3)c2)cnc1C1=CCC(N2CCOCC2)CC1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone?
The InChIKey is UWCFBJXQLHYTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-19-14-20(15-25(33)22-8-9-32(18-22)26-7-4-23(28)17-29-26)16-30-27(19)21-2-5-24(6-3-21)31-10-12-34-13-11-31/h2,4,7-9,14,16-18,24H,3,5-6,10-13,15H2,1H3.
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone?
1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone has a molecular weight of 460.55 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)pyrrol-3-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 161209903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).