3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C26H29FN4O5 — CID 70794623

IUPAC3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCC(=O)Cc2ccc(F)cc2)nc2ccc(N3CCOCC3)cn2c1=O
InChIInChI=1S/C26H29FN4O5/c1-2-3-12-36-24-23(25(33)28-16-21(32)15-18-4-6-19(27)7-5-18)29-22-9-8-20(17-31(22)26(24)34)30-10-13-35-14-11-30/h4-9,17H,2-3,10-16H2,1H3,(H,28,33)
InChIKeyWOMRTEVDJITTIT-UHFFFAOYSA-N
MW496.54 g/mol
LogP2.39
Rot. Bonds10

About 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 70794623) has the molecular formula C26H29FN4O5 and a molecular weight of 496.54 g/mol. Its IUPAC name is 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID70794623
Molecular FormulaC26H29FN4O5
Molecular Weight496.54 g/mol
Exact Mass496.21
IUPAC Name3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCC(=O)Cc2ccc(F)cc2)nc2ccc(N3CCOCC3)cn2c1=O
InChIInChI=1S/C26H29FN4O5/c1-2-3-12-36-24-23(25(33)28-16-21(32)15-18-4-6-19(27)7-5-18)29-22-9-8-20(17-31(22)26(24)34)30-10-13-35-14-11-30/h4-9,17H,2-3,10-16H2,1H3,(H,28,33)
InChIKeyWOMRTEVDJITTIT-UHFFFAOYSA-N
XLogP2.39
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

9-bromo-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 66953351
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
N-[3-(4-fluorophenyl)-2-oxopropyl]-3-methyl-7-morpholin-4-yl-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide
CID 91608275
6-butoxy-N-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 70672043
N-[(3-chloro-2-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide;(4-fluorophenyl)methanamine
CID 172751798
benzyl N-[2-[5-butoxy-4-[[3-(4-fluorophenyl)-2-oxopropyl]carbamoyl]-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]carbamate
CID 71190525
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 57494495
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
methyl 9-(benzhydrylideneamino)-3-butoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 88561567
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
CID 135911588
3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one
CID 58101140

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 70794623) is 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CCCCOc1c(C(=O)NCC(=O)Cc2ccc(F)cc2)nc2ccc(N3CCOCC3)cn2c1=O.
What is the InChIKey of 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is WOMRTEVDJITTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O5/c1-2-3-12-36-24-23(25(33)28-16-21(32)15-18-4-6-19(27)7-5-18)29-22-9-8-20(17-31(22)26(24)34)30-10-13-35-14-11-30/h4-9,17H,2-3,10-16H2,1H3,(H,28,33).
What are the key properties of 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 70794623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).