N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide

C18H16N6O3S2 — CID 118321318

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H16N6O3S2/c1-10-13-6-11(8-20-16(13)23-18(19)22-10)12-7-14(17(27-2)21-9-12)24-29(25,26)15-4-3-5-28-15/h3-9,24H,1-2H3,(H2,19,20,22,23)
InChIKeyAGEJZNKBSFIHNS-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.85
Rot. Bonds5

About N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 118321318) has the molecular formula C18H16N6O3S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID118321318
Molecular FormulaC18H16N6O3S2
Molecular Weight428.50 g/mol
Exact Mass428.07
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H16N6O3S2/c1-10-13-6-11(8-20-16(13)23-18(19)22-10)12-7-14(17(27-2)21-9-12)24-29(25,26)15-4-3-5-28-15/h3-9,24H,1-2H3,(H2,19,20,22,23)
InChIKeyAGEJZNKBSFIHNS-UHFFFAOYSA-N
XLogP2.85
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide 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-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide (CID 118321318) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is AGEJZNKBSFIHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S2/c1-10-13-6-11(8-20-16(13)23-18(19)22-10)12-7-14(17(27-2)21-9-12)24-29(25,26)15-4-3-5-28-15/h3-9,24H,1-2H3,(H2,19,20,22,23).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 428.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 118321318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).