2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C28H29N5OS — CID 146396079

IUPAC2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCC1
InChIInChI=1S/C28H29N5OS/c34-24(32-14-6-7-15-32)18-20-11-16-33(17-12-20)27-25-22(21-8-2-1-3-9-21)19-35-28(25)31-26(30-27)23-10-4-5-13-29-23/h1-5,8-10,13,19-20H,6-7,11-12,14-18H2
InChIKeyQHLITYSFZAPJOI-UHFFFAOYSA-N
MW483.64 g/mol
LogP5.65
Rot. Bonds5

About 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 146396079) has the molecular formula C28H29N5OS and a molecular weight of 483.64 g/mol. Its IUPAC name is 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID146396079
Molecular FormulaC28H29N5OS
Molecular Weight483.64 g/mol
Exact Mass483.21
IUPAC Name2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCC1
InChIInChI=1S/C28H29N5OS/c34-24(32-14-6-7-15-32)18-20-11-16-33(17-12-20)27-25-22(21-8-2-1-3-9-21)19-35-28(25)31-26(30-27)23-10-4-5-13-29-23/h1-5,8-10,13,19-20H,6-7,11-12,14-18H2
InChIKeyQHLITYSFZAPJOI-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-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 30807164
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
N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133278572
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 146396079) is 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCC1.
What is the InChIKey of 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is QHLITYSFZAPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5OS/c34-24(32-14-6-7-15-32)18-20-11-16-33(17-12-20)27-25-22(21-8-2-1-3-9-21)19-35-28(25)31-26(30-27)23-10-4-5-13-29-23/h1-5,8-10,13,19-20H,6-7,11-12,14-18H2.
What are the key properties of 2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone 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-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 146396079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).