2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione

C32H37FN4O3 — CID 155531661

IUPAC2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1ccccc1-c1c2n(c(=O)n(CCCCN3CCCC(c4c[nH]c5ccc(F)cc45)C3)c1=O)CCCC2
InChIInChI=1S/C32H37FN4O3/c1-40-29-12-3-2-10-24(29)30-28-11-4-5-17-36(28)32(39)37(31(30)38)18-7-6-15-35-16-8-9-22(21-35)26-20-34-27-14-13-23(33)19-25(26)27/h2-3,10,12-14,19-20,22,34H,4-9,11,15-18,21H2,1H3
InChIKeyUTIVZIPVLJDFEB-UHFFFAOYSA-N
MW544.67 g/mol
LogP5.30
Rot. Bonds8

About 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione

2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 155531661) has the molecular formula C32H37FN4O3 and a molecular weight of 544.67 g/mol. Its IUPAC name is 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID155531661
Molecular FormulaC32H37FN4O3
Molecular Weight544.67 g/mol
Exact Mass544.28
IUPAC Name2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1ccccc1-c1c2n(c(=O)n(CCCCN3CCCC(c4c[nH]c5ccc(F)cc45)C3)c1=O)CCCC2
InChIInChI=1S/C32H37FN4O3/c1-40-29-12-3-2-10-24(29)30-28-11-4-5-17-36(28)32(39)37(31(30)38)18-7-6-15-35-16-8-9-22(21-35)26-20-34-27-14-13-23(33)19-25(26)27/h2-3,10,12-14,19-20,22,34H,4-9,11,15-18,21H2,1H3
InChIKeyUTIVZIPVLJDFEB-UHFFFAOYSA-N
XLogP5.30
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.67
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione with MolForge

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Related Compounds

2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)pyrido[1,2-c]pyrimidine-1,3-dione
CID 155563143
4-(2-fluorophenyl)-2-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
CID 44515812
2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]-4-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
CID 155538236
2-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
CID 44515810
4-(2-fluorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
CID 155554150
4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
CID 155544812
1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 155562519
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
CID 155524228
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
4-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1,4-benzoxazin-3-one
CID 12992366
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one
CID 22483998

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione (CID 155531661) is 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione is COc1ccccc1-c1c2n(c(=O)n(CCCCN3CCCC(c4c[nH]c5ccc(F)cc45)C3)c1=O)CCCC2.
What is the InChIKey of 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is UTIVZIPVLJDFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O3/c1-40-29-12-3-2-10-24(29)30-28-11-4-5-17-36(28)32(39)37(31(30)38)18-7-6-15-35-16-8-9-22(21-35)26-20-34-27-14-13-23(33)19-25(26)27/h2-3,10,12-14,19-20,22,34H,4-9,11,15-18,21H2,1H3.
What are the key properties of 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 544.67 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 155531661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).