N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide

C23H21N5O4S — CID 66558030

IUPACN-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncnc(OC4CCOCC4)c3n2)c1)c1ccccc1
InChIInChI=1S/C23H21N5O4S/c29-33(30,19-4-2-1-3-5-19)28-17-12-16(13-24-14-17)20-6-7-21-22(27-20)23(26-15-25-21)32-18-8-10-31-11-9-18/h1-7,12-15,18,28H,8-11H2
InChIKeyDFQOZTRZCLZDHI-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.45
Rot. Bonds6

About N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide

N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 66558030) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID66558030
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC NameN-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncnc(OC4CCOCC4)c3n2)c1)c1ccccc1
InChIInChI=1S/C23H21N5O4S/c29-33(30,19-4-2-1-3-5-19)28-17-12-16(13-24-14-17)20-6-7-21-22(27-20)23(26-15-25-21)32-18-8-10-31-11-9-18/h1-7,12-15,18,28H,8-11H2
InChIKeyDFQOZTRZCLZDHI-UHFFFAOYSA-N
XLogP3.45
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-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 N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 66558030) is N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncnc(OC4CCOCC4)c3n2)c1)c1ccccc1.
What is the InChIKey of N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is DFQOZTRZCLZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c29-33(30,19-4-2-1-3-5-19)28-17-12-16(13-24-14-17)20-6-7-21-22(27-20)23(26-15-25-21)32-18-8-10-31-11-9-18/h1-7,12-15,18,28H,8-11H2.
What are the key properties of N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 463.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66558030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).