N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide

C24H23FN6O3S — CID 154686840

IUPACN-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide
SMILESNc1ncc2nc(-c3ccc(NS(=O)(=O)Cc4ccccc4)c(F)c3)cc(N3CCOCC3)c2n1
InChIInChI=1S/C24H23FN6O3S/c25-18-12-17(6-7-19(18)30-35(32,33)15-16-4-2-1-3-5-16)20-13-22(31-8-10-34-11-9-31)23-21(28-20)14-27-24(26)29-23/h1-7,12-14,30H,8-11,15H2,(H2,26,27,29)
InChIKeyBXRJWWNNJBHGKR-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.19
Rot. Bonds6

About N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide

N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide (PubChem CID 154686840) has the molecular formula C24H23FN6O3S and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide
PubChem CID154686840
Molecular FormulaC24H23FN6O3S
Molecular Weight494.55 g/mol
Exact Mass494.15
IUPAC NameN-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide
SMILESNc1ncc2nc(-c3ccc(NS(=O)(=O)Cc4ccccc4)c(F)c3)cc(N3CCOCC3)c2n1
InChIInChI=1S/C24H23FN6O3S/c25-18-12-17(6-7-19(18)30-35(32,33)15-16-4-2-1-3-5-16)20-13-22(31-8-10-34-11-9-31)23-21(28-20)14-27-24(26)29-23/h1-7,12-14,30H,8-11,15H2,(H2,26,27,29)
InChIKeyBXRJWWNNJBHGKR-UHFFFAOYSA-N
XLogP3.19
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide (CID 154686840) is N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide is Nc1ncc2nc(-c3ccc(NS(=O)(=O)Cc4ccccc4)c(F)c3)cc(N3CCOCC3)c2n1.
What is the InChIKey of N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide?
The InChIKey is BXRJWWNNJBHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3S/c25-18-12-17(6-7-19(18)30-35(32,33)15-16-4-2-1-3-5-16)20-13-22(31-8-10-34-11-9-31)23-21(28-20)14-27-24(26)29-23/h1-7,12-14,30H,8-11,15H2,(H2,26,27,29).
What are the key properties of N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide?
N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide has a molecular weight of 494.55 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-8-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 154686840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).