N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide

C24H29N7O3S2 — CID 155561165

IUPACN-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C24H29N7O3S2/c1-36(32,33)29-16-5-7-30(8-6-16)15-17-13-21-22(35-17)24(31-9-11-34-12-10-31)27-23(26-21)18-3-2-4-20-19(18)14-25-28-20/h2-4,13-14,16,29H,5-12,15H2,1H3,(H,25,28)
InChIKeySDZKXVDTGKYNIM-UHFFFAOYSA-N
MW527.68 g/mol
LogP2.58
Rot. Bonds6

About N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide

N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 155561165) has the molecular formula C24H29N7O3S2 and a molecular weight of 527.68 g/mol. Its IUPAC name is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide
PubChem CID155561165
Molecular FormulaC24H29N7O3S2
Molecular Weight527.68 g/mol
Exact Mass527.18
IUPAC NameN-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C24H29N7O3S2/c1-36(32,33)29-16-5-7-30(8-6-16)15-17-13-21-22(35-17)24(31-9-11-34-12-10-31)27-23(26-21)18-3-2-4-20-19(18)14-25-28-20/h2-4,13-14,16,29H,5-12,15H2,1H3,(H,25,28)
InChIKeySDZKXVDTGKYNIM-UHFFFAOYSA-N
XLogP2.58
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.68
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide 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-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide (CID 155561165) is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is SDZKXVDTGKYNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S2/c1-36(32,33)29-16-5-7-30(8-6-16)15-17-13-21-22(35-17)24(31-9-11-34-12-10-31)27-23(26-21)18-3-2-4-20-19(18)14-25-28-20/h2-4,13-14,16,29H,5-12,15H2,1H3,(H,25,28).
What are the key properties of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 527.68 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 155561165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).