N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide

C27H32N6O2S — CID 155540264

IUPACN-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C27H32N6O2S/c1-18(34)31(2)19-5-4-10-32(16-19)17-20-15-24-25(36-20)27(33-11-13-35-14-12-33)30-26(29-24)22-6-3-7-23-21(22)8-9-28-23/h3,6-9,15,19,28H,4-5,10-14,16-17H2,1-2H3
InChIKeyQUKLSGWBYFZZDT-UHFFFAOYSA-N
MW504.66 g/mol
LogP4.12
Rot. Bonds5

About N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide

N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide (PubChem CID 155540264) has the molecular formula C27H32N6O2S and a molecular weight of 504.66 g/mol. Its IUPAC name is N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide
PubChem CID155540264
Molecular FormulaC27H32N6O2S
Molecular Weight504.66 g/mol
Exact Mass504.23
IUPAC NameN-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C27H32N6O2S/c1-18(34)31(2)19-5-4-10-32(16-19)17-20-15-24-25(36-20)27(33-11-13-35-14-12-33)30-26(29-24)22-6-3-7-23-21(22)8-9-28-23/h3,6-9,15,19,28H,4-5,10-14,16-17H2,1-2H3
InChIKeyQUKLSGWBYFZZDT-UHFFFAOYSA-N
XLogP4.12
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.66
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide (CID 155540264) is N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)C1.
What is the InChIKey of N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide?
The InChIKey is QUKLSGWBYFZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2S/c1-18(34)31(2)19-5-4-10-32(16-19)17-20-15-24-25(36-20)27(33-11-13-35-14-12-33)30-26(29-24)22-6-3-7-23-21(22)8-9-28-23/h3,6-9,15,19,28H,4-5,10-14,16-17H2,1-2H3.
What are the key properties of N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide?
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide has a molecular weight of 504.66 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 155540264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).