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

C28H38N6O5S2 — CID 122432398

IUPACN-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C28H38N6O5S2/c1-28(2,35)20-6-8-33(9-7-20)16-19-17-40-25-23(30-27(31-24(19)25)34-10-12-39-13-11-34)18-14-22(26(38-3)29-15-18)32-41(36,37)21-4-5-21/h14-15,17,20-21,32,35H,4-13,16H2,1-3H3
InChIKeyFHQJKHKABAZKEO-UHFFFAOYSA-N
MW602.78 g/mol
LogP3.49
Rot. Bonds9

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

N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 122432398) has the molecular formula C28H38N6O5S2 and a molecular weight of 602.78 g/mol. Its IUPAC name is N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID122432398
Molecular FormulaC28H38N6O5S2
Molecular Weight602.78 g/mol
Exact Mass602.23
IUPAC NameN-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C28H38N6O5S2/c1-28(2,35)20-6-8-33(9-7-20)16-19-17-40-25-23(30-27(31-24(19)25)34-10-12-39-13-11-34)18-14-22(26(38-3)29-15-18)32-41(36,37)21-4-5-21/h14-15,17,20-21,32,35H,4-13,16H2,1-3H3
InChIKeyFHQJKHKABAZKEO-UHFFFAOYSA-N
XLogP3.49
TPSA130.01 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 122432398) is N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is FHQJKHKABAZKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O5S2/c1-28(2,35)20-6-8-33(9-7-20)16-19-17-40-25-23(30-27(31-24(19)25)34-10-12-39-13-11-34)18-14-22(26(38-3)29-15-18)32-41(36,37)21-4-5-21/h14-15,17,20-21,32,35H,4-13,16H2,1-3H3.
What are the key properties of N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 602.78 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 122432398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).