N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide

C24H24N6O3S — CID 66558110

IUPACN-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)CC1
InChIInChI=1S/C24H24N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h2-8,13-16,19,29H,9-12H2,1H3
InChIKeyVVXLKTAOIWKRIT-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.36
Rot. Bonds6

About N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide

N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 66558110) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID66558110
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC NameN-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)CC1
InChIInChI=1S/C24H24N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h2-8,13-16,19,29H,9-12H2,1H3
InChIKeyVVXLKTAOIWKRIT-UHFFFAOYSA-N
XLogP3.36
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[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-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 66558110) is N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide is CN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)CC1.
What is the InChIKey of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is VVXLKTAOIWKRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h2-8,13-16,19,29H,9-12H2,1H3.
What are the key properties of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 476.56 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66558110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).