4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine

C26H34N6O4S2 — CID 158238958

IUPAC4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)c(C)sc23)cc1CS(=O)(=O)C1CC1
InChIInChI=1S/C26H34N6O4S2/c1-17-21(15-31-7-5-27-6-8-31)23-24(37-17)22(29-26(30-23)32-9-11-36-12-10-32)18-13-19(25(35-2)28-14-18)16-38(33,34)20-3-4-20/h13-14,20,27H,3-12,15-16H2,1-2H3
InChIKeyIFTIUXVIDHDZEC-UHFFFAOYSA-N
MW558.73 g/mol
LogP2.39
Rot. Bonds8

About 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine

4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine (PubChem CID 158238958) has the molecular formula C26H34N6O4S2 and a molecular weight of 558.73 g/mol. Its IUPAC name is 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine
PubChem CID158238958
Molecular FormulaC26H34N6O4S2
Molecular Weight558.73 g/mol
Exact Mass558.21
IUPAC Name4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)c(C)sc23)cc1CS(=O)(=O)C1CC1
InChIInChI=1S/C26H34N6O4S2/c1-17-21(15-31-7-5-27-6-8-31)23-24(37-17)22(29-26(30-23)32-9-11-36-12-10-32)18-13-19(25(35-2)28-14-18)16-38(33,34)20-3-4-20/h13-14,20,27H,3-12,15-16H2,1-2H3
InChIKeyIFTIUXVIDHDZEC-UHFFFAOYSA-N
XLogP2.39
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine 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 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine (CID 158238958) is 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.
What is the InChIKey of 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The InChIKey is IFTIUXVIDHDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4S2/c1-17-21(15-31-7-5-27-6-8-31)23-24(37-17)22(29-26(30-23)32-9-11-36-12-10-32)18-13-19(25(35-2)28-14-18)16-38(33,34)20-3-4-20/h13-14,20,27H,3-12,15-16H2,1-2H3.
What are the key properties of 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine has a molecular weight of 558.73 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 158238958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).