N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide

C22H17FN4O3S — CID 44783049

IUPACN-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
SMILESO=C(Cc1cccs1)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O
InChIInChI=1S/C22H17FN4O3S/c23-15-7-5-14(6-8-15)12-25-21(29)17-4-1-9-27-20(17)24-13-18(22(27)30)26-19(28)11-16-3-2-10-31-16/h1-10,13H,11-12H2,(H,25,29)(H,26,28)
InChIKeyFBUILSFJGLEPDL-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.01
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide

N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783049) has the molecular formula C22H17FN4O3S and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783049
Molecular FormulaC22H17FN4O3S
Molecular Weight436.47 g/mol
Exact Mass436.10
IUPAC NameN-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
SMILESO=C(Cc1cccs1)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O
InChIInChI=1S/C22H17FN4O3S/c23-15-7-5-14(6-8-15)12-25-21(29)17-4-1-9-27-20(17)24-13-18(22(27)30)26-19(28)11-16-3-2-10-31-16/h1-10,13H,11-12H2,(H,25,29)(H,26,28)
InChIKeyFBUILSFJGLEPDL-UHFFFAOYSA-N
XLogP3.01
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783045
2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid
CID 44783182
3-[(2-cyanophenyl)methylamino]-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783152
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
CID 44783180
2-oxo-N-(thiophen-2-ylmethyl)-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide
CID 3374252
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide
CID 44782939
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-(3-fluorophenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 38269111
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783214

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783049) is N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide is O=C(Cc1cccs1)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is FBUILSFJGLEPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S/c23-15-7-5-14(6-8-15)12-25-21(29)17-4-1-9-27-20(17)24-13-18(22(27)30)26-19(28)11-16-3-2-10-31-16/h1-10,13H,11-12H2,(H,25,29)(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).