2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C28H29N5OS — CID 30807164

IUPAC2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C28H29N5OS/c34-24(18-20-8-4-5-9-20)32-14-16-33(17-15-32)27-25-22(21-10-2-1-3-11-21)19-35-28(25)31-26(30-27)23-12-6-7-13-29-23/h1-3,6-7,10-13,19-20H,4-5,8-9,14-18H2
InChIKeyIPUNOLMVWOZXNN-UHFFFAOYSA-N
MW483.64 g/mol
LogP5.65
Rot. Bonds5

About 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 30807164) has the molecular formula C28H29N5OS and a molecular weight of 483.64 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID30807164
Molecular FormulaC28H29N5OS
Molecular Weight483.64 g/mol
Exact Mass483.21
IUPAC Name2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C28H29N5OS/c34-24(18-20-8-4-5-9-20)32-14-16-33(17-15-32)27-25-22(21-10-2-1-3-11-21)19-35-28(25)31-26(30-27)23-12-6-7-13-29-23/h1-3,6-7,10-13,19-20H,4-5,8-9,14-18H2
InChIKeyIPUNOLMVWOZXNN-UHFFFAOYSA-N
XLogP5.65
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.64
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146396079
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
N-[2-[6-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]cyclopropyl]-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 129298958
1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one
CID 149311701
4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9311493
(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 51957204
2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9207878
7-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 56803860
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 159518607
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 30807164) is 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is O=C(CC1CCCC1)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is IPUNOLMVWOZXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5OS/c34-24(18-20-8-4-5-9-20)32-14-16-33(17-15-32)27-25-22(21-10-2-1-3-11-21)19-35-28(25)31-26(30-27)23-12-6-7-13-29-23/h1-3,6-7,10-13,19-20H,4-5,8-9,14-18H2.
What are the key properties of 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 483.64 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 30807164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).