N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide

C23H18ClFN4O2 — CID 55917605

IUPACN-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(NCc2cc(=O)n3cc(Cl)ccc3n2)ccc1F
InChIInChI=1S/C23H18ClFN4O2/c24-16-6-9-21-27-18(12-23(31)29(21)14-16)13-26-17-7-8-19(25)20(11-17)28-22(30)10-15-4-2-1-3-5-15/h1-9,11-12,14,26H,10,13H2,(H,28,30)
InChIKeyBPYCIEHNPFIQKP-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.28
Rot. Bonds6

About N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide

N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide (PubChem CID 55917605) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide
PubChem CID55917605
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC NameN-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(NCc2cc(=O)n3cc(Cl)ccc3n2)ccc1F
InChIInChI=1S/C23H18ClFN4O2/c24-16-6-9-21-27-18(12-23(31)29(21)14-16)13-26-17-7-8-19(25)20(11-17)28-22(30)10-15-4-2-1-3-5-15/h1-9,11-12,14,26H,10,13H2,(H,28,30)
InChIKeyBPYCIEHNPFIQKP-UHFFFAOYSA-N
XLogP4.28
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide with MolForge

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Related Compounds

7-chloro-2-[(3-nitroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51224595
N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
CID 24681171
(2R)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid
CID 83194830
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide
CID 86930979
N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide
CID 55729288
N-[2-fluoro-5-[[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]phenyl]-2-phenylacetamide
CID 86880257
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 43033356

Frequently Asked Questions

What is the IUPAC name of N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide?
The IUPAC name of N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide (CID 55917605) is N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cc(NCc2cc(=O)n3cc(Cl)ccc3n2)ccc1F.
What is the InChIKey of N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide?
The InChIKey is BPYCIEHNPFIQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c24-16-6-9-21-27-18(12-23(31)29(21)14-16)13-26-17-7-8-19(25)20(11-17)28-22(30)10-15-4-2-1-3-5-15/h1-9,11-12,14,26H,10,13H2,(H,28,30).
What are the key properties of N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide?
N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide has a molecular weight of 436.87 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide is sourced from PubChem (CID 55917605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).