N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C24H30N6O4S2 — CID 122428070

IUPACN-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CC5CC5C4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C24H30N6O4S2/c1-14-18(13-29-11-16-8-17(16)12-29)21-22(35-14)20(26-24(27-21)30-4-6-34-7-5-30)15-9-19(28-36(3,31)32)23(33-2)25-10-15/h9-10,16-17,28H,4-8,11-13H2,1-3H3
InChIKeyOEHJVHQPQLXNAO-UHFFFAOYSA-N
MW530.68 g/mol
LogP2.73
Rot. Bonds7

About N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428070) has the molecular formula C24H30N6O4S2 and a molecular weight of 530.68 g/mol. Its IUPAC name is N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122428070
Molecular FormulaC24H30N6O4S2
Molecular Weight530.68 g/mol
Exact Mass530.18
IUPAC NameN-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CC5CC5C4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C24H30N6O4S2/c1-14-18(13-29-11-16-8-17(16)12-29)21-22(35-14)20(26-24(27-21)30-4-6-34-7-5-30)15-9-19(28-36(3,31)32)23(33-2)25-10-15/h9-10,16-17,28H,4-8,11-13H2,1-3H3
InChIKeyOEHJVHQPQLXNAO-UHFFFAOYSA-N
XLogP2.73
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.68
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428070) is N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CC5CC5C4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is OEHJVHQPQLXNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S2/c1-14-18(13-29-11-16-8-17(16)12-29)21-22(35-14)20(26-24(27-21)30-4-6-34-7-5-30)15-9-19(28-36(3,31)32)23(33-2)25-10-15/h9-10,16-17,28H,4-8,11-13H2,1-3H3.
What are the key properties of N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 530.68 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).