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

C27H32N6O3S — CID 155515734

IUPACN-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C27H32N6O3S/c1-35-17-24(34)29-18-4-3-9-32(15-18)16-19-14-23-25(37-19)27(33-10-12-36-13-11-33)31-26(30-23)21-5-2-6-22-20(21)7-8-28-22/h2,5-8,14,18,28H,3-4,9-13,15-17H2,1H3,(H,29,34)
InChIKeyZHDNEACRUBAOJY-UHFFFAOYSA-N
MW520.66 g/mol
LogP3.40
Rot. Bonds7

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

N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 155515734) has the molecular formula C27H32N6O3S and a molecular weight of 520.66 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]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide
PubChem CID155515734
Molecular FormulaC27H32N6O3S
Molecular Weight520.66 g/mol
Exact Mass520.23
IUPAC NameN-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C27H32N6O3S/c1-35-17-24(34)29-18-4-3-9-32(15-18)16-19-14-23-25(37-19)27(33-10-12-36-13-11-33)31-26(30-23)21-5-2-6-22-20(21)7-8-28-22/h2,5-8,14,18,28H,3-4,9-13,15-17H2,1H3,(H,29,34)
InChIKeyZHDNEACRUBAOJY-UHFFFAOYSA-N
XLogP3.40
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-2-methoxyacetamide?
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]-2-methoxyacetamide (CID 155515734) is N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide.
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]-2-methoxyacetamide?
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]-2-methoxyacetamide is COCC(=O)NC1CCCN(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]-2-methoxyacetamide?
The InChIKey is ZHDNEACRUBAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3S/c1-35-17-24(34)29-18-4-3-9-32(15-18)16-19-14-23-25(37-19)27(33-10-12-36-13-11-33)31-26(30-23)21-5-2-6-22-20(21)7-8-28-22/h2,5-8,14,18,28H,3-4,9-13,15-17H2,1H3,(H,29,34).
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]-2-methoxyacetamide?
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 520.66 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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]-2-methoxyacetamide is sourced from PubChem (CID 155515734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).