N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

C19H20BrN5O4S2 — CID 122432338

IUPACN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C19H20BrN5O4S2/c1-28-18-14(24-31(26,27)12-2-3-12)8-11(9-21-18)15-17-16(13(20)10-30-17)23-19(22-15)25-4-6-29-7-5-25/h8-10,12,24H,2-7H2,1H3
InChIKeyFGNOMTBKMHEPJY-UHFFFAOYSA-N
MW526.44 g/mol
LogP3.27
Rot. Bonds6

About N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 122432338) has the molecular formula C19H20BrN5O4S2 and a molecular weight of 526.44 g/mol. Its IUPAC name is N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID122432338
Molecular FormulaC19H20BrN5O4S2
Molecular Weight526.44 g/mol
Exact Mass525.01
IUPAC NameN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C19H20BrN5O4S2/c1-28-18-14(24-31(26,27)12-2-3-12)8-11(9-21-18)15-17-16(13(20)10-30-17)23-19(22-15)25-4-6-29-7-5-25/h8-10,12,24H,2-7H2,1H3
InChIKeyFGNOMTBKMHEPJY-UHFFFAOYSA-N
XLogP3.27
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 122432338) is N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is FGNOMTBKMHEPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O4S2/c1-28-18-14(24-31(26,27)12-2-3-12)8-11(9-21-18)15-17-16(13(20)10-30-17)23-19(22-15)25-4-6-29-7-5-25/h8-10,12,24H,2-7H2,1H3.
What are the key properties of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 526.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 122432338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).