2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

C27H33N5O2S — CID 122432257

IUPAC2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cccc5[nH]ccc45)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C27H33N5O2S/c1-27(2,33)19-7-10-31(11-8-19)16-18-17-35-25-23(18)29-26(32-12-14-34-15-13-32)30-24(25)21-4-3-5-22-20(21)6-9-28-22/h3-6,9,17,19,28,33H,7-8,10-16H2,1-2H3
InChIKeyBNJPUEFAFIKNJK-UHFFFAOYSA-N
MW491.66 g/mol
LogP4.66
Rot. Bonds5

About 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 122432257) has the molecular formula C27H33N5O2S and a molecular weight of 491.66 g/mol. Its IUPAC name is 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID122432257
Molecular FormulaC27H33N5O2S
Molecular Weight491.66 g/mol
Exact Mass491.24
IUPAC Name2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cccc5[nH]ccc45)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C27H33N5O2S/c1-27(2,33)19-7-10-31(11-8-19)16-18-17-35-25-23(18)29-26(32-12-14-34-15-13-32)30-24(25)21-4-3-5-22-20(21)6-9-28-22/h3-6,9,17,19,28,33H,7-8,10-16H2,1-2H3
InChIKeyBNJPUEFAFIKNJK-UHFFFAOYSA-N
XLogP4.66
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (CID 122432257) is 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2csc3c(-c4cccc5[nH]ccc45)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is BNJPUEFAFIKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2S/c1-27(2,33)19-7-10-31(11-8-19)16-18-17-35-25-23(18)29-26(32-12-14-34-15-13-32)30-24(25)21-4-3-5-22-20(21)6-9-28-22/h3-6,9,17,19,28,33H,7-8,10-16H2,1-2H3.
What are the key properties of 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 491.66 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(1H-indol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 122432257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).