2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide

C23H18F2N4O5S — CID 157394533

IUPAC2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(CC(C)=O)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H18F2N4O5S/c1-13(30)7-16-11-26-21-6-3-14(12-29(21)23(16)31)15-8-19(22(34-2)27-10-15)28-35(32,33)20-5-4-17(24)9-18(20)25/h3-6,8-12,28H,7H2,1-2H3
InChIKeyBMKIXRMPORXKNU-UHFFFAOYSA-N
MW500.48 g/mol
LogP2.98
Rot. Bonds7

About 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 157394533) has the molecular formula C23H18F2N4O5S and a molecular weight of 500.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID157394533
Molecular FormulaC23H18F2N4O5S
Molecular Weight500.48 g/mol
Exact Mass500.10
IUPAC Name2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(CC(C)=O)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H18F2N4O5S/c1-13(30)7-16-11-26-21-6-3-14(12-29(21)23(16)31)15-8-19(22(34-2)27-10-15)28-35(32,33)20-5-4-17(24)9-18(20)25/h3-6,8-12,28H,7H2,1-2H3
InChIKeyBMKIXRMPORXKNU-UHFFFAOYSA-N
XLogP2.98
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide (CID 157394533) is 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(CC(C)=O)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is BMKIXRMPORXKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O5S/c1-13(30)7-16-11-26-21-6-3-14(12-29(21)23(16)31)15-8-19(22(34-2)27-10-15)28-35(32,33)20-5-4-17(24)9-18(20)25/h3-6,8-12,28H,7H2,1-2H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 500.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 157394533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).