N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C25H30N8O4S2 — CID 122428074

IUPACN-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCn5ccnc5C4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C25H30N8O4S2/c1-16-18(14-31-6-7-32-5-4-26-20(32)15-31)22-23(38-16)21(28-25(29-22)33-8-10-37-11-9-33)17-12-19(30-39(3,34)35)24(36-2)27-13-17/h4-5,12-13,30H,6-11,14-15H2,1-3H3
InChIKeyPOZFIHGZHIHLMO-UHFFFAOYSA-N
MW570.70 g/mol
LogP2.49
Rot. Bonds7

About N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428074) has the molecular formula C25H30N8O4S2 and a molecular weight of 570.70 g/mol. Its IUPAC name is N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122428074
Molecular FormulaC25H30N8O4S2
Molecular Weight570.70 g/mol
Exact Mass570.18
IUPAC NameN-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCn5ccnc5C4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C25H30N8O4S2/c1-16-18(14-31-6-7-32-5-4-26-20(32)15-31)22-23(38-16)21(28-25(29-22)33-8-10-37-11-9-33)17-12-19(30-39(3,34)35)24(36-2)27-13-17/h4-5,12-13,30H,6-11,14-15H2,1-3H3
InChIKeyPOZFIHGZHIHLMO-UHFFFAOYSA-N
XLogP2.49
TPSA127.60 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-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-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428074) is N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-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-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCn5ccnc5C4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is POZFIHGZHIHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O4S2/c1-16-18(14-31-6-7-32-5-4-26-20(32)15-31)22-23(38-16)21(28-25(29-22)33-8-10-37-11-9-33)17-12-19(30-39(3,34)35)24(36-2)27-13-17/h4-5,12-13,30H,6-11,14-15H2,1-3H3.
What are the key properties of N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 570.70 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).