N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C27H39N7O4S2 — CID 122427959

IUPACN-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(C)(C)C)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C27H39N7O4S2/c1-18-20(17-32-7-9-34(10-8-32)27(2,3)4)23-24(39-18)22(29-26(30-23)33-11-13-38-14-12-33)19-15-21(31-40(6,35)36)25(37-5)28-16-19/h15-16,31H,7-14,17H2,1-6H3
InChIKeyGFZABSPENWBGBU-UHFFFAOYSA-N
MW589.79 g/mol
LogP3.19
Rot. Bonds7

About N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122427959) has the molecular formula C27H39N7O4S2 and a molecular weight of 589.79 g/mol. Its IUPAC name is N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122427959
Molecular FormulaC27H39N7O4S2
Molecular Weight589.79 g/mol
Exact Mass589.25
IUPAC NameN-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(C)(C)C)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C27H39N7O4S2/c1-18-20(17-32-7-9-34(10-8-32)27(2,3)4)23-24(39-18)22(29-26(30-23)33-11-13-38-14-12-33)19-15-21(31-40(6,35)36)25(37-5)28-16-19/h15-16,31H,7-14,17H2,1-6H3
InChIKeyGFZABSPENWBGBU-UHFFFAOYSA-N
XLogP3.19
TPSA113.02 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162371678
CID 162371678
CID 122178117
CID 122178117
CID 122178118
CID 122178118
CID 122178119
CID 122178119
CID 122178120
CID 122178120
CID 122178121
CID 122178121
CID 141471200
CID 141471200
CID 141471204
CID 141471204
CID 141471208
CID 141471208
CID 162371654
CID 162371654
CID 162371656
CID 162371656
CID 162371664
CID 162371664

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122427959) is N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(C)(C)C)CC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is GFZABSPENWBGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O4S2/c1-18-20(17-32-7-9-34(10-8-32)27(2,3)4)23-24(39-18)22(29-26(30-23)33-11-13-38-14-12-33)19-15-21(31-40(6,35)36)25(37-5)28-16-19/h15-16,31H,7-14,17H2,1-6H3.
What are the key properties of N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 589.79 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122427959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).