N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide

C23H28N6O4S — CID 57441925

IUPACN-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESC[C@H]1COCCN1c1nc(N2CCOCC2)nc2nc(-c3cccc(NS(C)(=O)=O)c3)ccc12
InChIInChI=1S/C23H28N6O4S/c1-16-15-33-13-10-29(16)22-19-6-7-20(17-4-3-5-18(14-17)27-34(2,30)31)24-21(19)25-23(26-22)28-8-11-32-12-9-28/h3-7,14,16,27H,8-13,15H2,1-2H3/t16-/m0/s1
InChIKeyAEDYQRGLUVZRAF-INIZCTEOSA-N
MW484.58 g/mol
LogP2.12
Rot. Bonds5

About N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide

N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide (PubChem CID 57441925) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
PubChem CID57441925
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC NameN-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESC[C@H]1COCCN1c1nc(N2CCOCC2)nc2nc(-c3cccc(NS(C)(=O)=O)c3)ccc12
InChIInChI=1S/C23H28N6O4S/c1-16-15-33-13-10-29(16)22-19-6-7-20(17-4-3-5-18(14-17)27-34(2,30)31)24-21(19)25-23(26-22)28-8-11-32-12-9-28/h3-7,14,16,27H,8-13,15H2,1-2H3/t16-/m0/s1
InChIKeyAEDYQRGLUVZRAF-INIZCTEOSA-N
XLogP2.12
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide (CID 57441925) is N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide is C[C@H]1COCCN1c1nc(N2CCOCC2)nc2nc(-c3cccc(NS(C)(=O)=O)c3)ccc12.
What is the InChIKey of N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The InChIKey is AEDYQRGLUVZRAF-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-16-15-33-13-10-29(16)22-19-6-7-20(17-4-3-5-18(14-17)27-34(2,30)31)24-21(19)25-23(26-22)28-8-11-32-12-9-28/h3-7,14,16,27H,8-13,15H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide has a molecular weight of 484.58 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 57441925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).