2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide

C23H27N5O5S — CID 118709075

IUPAC2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide
SMILESCc1cc([C@@H](C)Nc2ccccc2C(=O)NS(C)(=O)=O)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C23H27N5O5S/c1-15-12-18(16(2)24-19-7-5-4-6-17(19)23(30)26-34(3,31)32)22-25-20(13-21(29)28(22)14-15)27-8-10-33-11-9-27/h4-7,12-14,16,24H,8-11H2,1-3H3,(H,26,30)/t16-/m1/s1
InChIKeyKKDXZRIKKMODBM-MRXNPFEDSA-N
MW485.57 g/mol
LogP1.70
Rot. Bonds6

About 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide

2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide (PubChem CID 118709075) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide
PubChem CID118709075
Molecular FormulaC23H27N5O5S
Molecular Weight485.57 g/mol
Exact Mass485.17
IUPAC Name2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide
SMILESCc1cc([C@@H](C)Nc2ccccc2C(=O)NS(C)(=O)=O)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C23H27N5O5S/c1-15-12-18(16(2)24-19-7-5-4-6-17(19)23(30)26-34(3,31)32)22-25-20(13-21(29)28(22)14-15)27-8-10-33-11-9-27/h4-7,12-14,16,24H,8-11H2,1-3H3,(H,26,30)/t16-/m1/s1
InChIKeyKKDXZRIKKMODBM-MRXNPFEDSA-N
XLogP1.70
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide 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-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide?
The IUPAC name of 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide (CID 118709075) is 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide?
The canonical SMILES for 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide is Cc1cc([C@@H](C)Nc2ccccc2C(=O)NS(C)(=O)=O)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide?
The InChIKey is KKDXZRIKKMODBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N5O5S/c1-15-12-18(16(2)24-19-7-5-4-6-17(19)23(30)26-34(3,31)32)22-25-20(13-21(29)28(22)14-15)27-8-10-33-11-9-27/h4-7,12-14,16,24H,8-11H2,1-3H3,(H,26,30)/t16-/m1/s1.
What are the key properties of 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide?
2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide has a molecular weight of 485.57 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]-N-methylsulfonylbenzamide is sourced from PubChem (CID 118709075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).