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

C25H35N7O5S2 — CID 122428061

IUPACN-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(C)(C)O)CC4)csc23)cc1NS(C)(=O)=O
InChIInChI=1S/C25H35N7O5S2/c1-25(2,33)32-7-5-30(6-8-32)15-18-16-38-22-20(27-24(28-21(18)22)31-9-11-37-12-10-31)17-13-19(29-39(4,34)35)23(36-3)26-14-17/h13-14,16,29,33H,5-12,15H2,1-4H3
InChIKeyHNBAOCOVIKRLAO-UHFFFAOYSA-N
MW577.73 g/mol
LogP1.82
Rot. Bonds8

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

N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428061) has the molecular formula C25H35N7O5S2 and a molecular weight of 577.73 g/mol. Its IUPAC name is N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122428061
Molecular FormulaC25H35N7O5S2
Molecular Weight577.73 g/mol
Exact Mass577.21
IUPAC NameN-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(C)(C)O)CC4)csc23)cc1NS(C)(=O)=O
InChIInChI=1S/C25H35N7O5S2/c1-25(2,33)32-7-5-30(6-8-32)15-18-16-38-22-20(27-24(28-21(18)22)31-9-11-37-12-10-31)17-13-19(29-39(4,34)35)23(36-3)26-14-17/h13-14,16,29,33H,5-12,15H2,1-4H3
InChIKeyHNBAOCOVIKRLAO-UHFFFAOYSA-N
XLogP1.82
TPSA133.25 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428061) is N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]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-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]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)O)CC4)csc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is HNBAOCOVIKRLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O5S2/c1-25(2,33)32-7-5-30(6-8-32)15-18-16-38-22-20(27-24(28-21(18)22)31-9-11-37-12-10-31)17-13-19(29-39(4,34)35)23(36-3)26-14-17/h13-14,16,29,33H,5-12,15H2,1-4H3.
What are the key properties of N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 577.73 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).