2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C25H24N4O2S2 — CID 39963991

IUPAC2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=C(c1ccc2c(c1)CCC2)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C25H24N4O2S2/c30-23-22-19(20-5-2-12-32-20)15-33-24(22)27-21(26-23)14-28-8-10-29(11-9-28)25(31)18-7-6-16-3-1-4-17(16)13-18/h2,5-7,12-13,15H,1,3-4,8-11,14H2,(H,26,27,30)
InChIKeyAQRDHXRWHOLWHH-UHFFFAOYSA-N
MW476.63 g/mol
LogP4.16
Rot. Bonds4

About 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 39963991) has the molecular formula C25H24N4O2S2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID39963991
Molecular FormulaC25H24N4O2S2
Molecular Weight476.63 g/mol
Exact Mass476.13
IUPAC Name2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=C(c1ccc2c(c1)CCC2)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C25H24N4O2S2/c30-23-22-19(20-5-2-12-32-20)15-33-24(22)27-21(26-23)14-28-8-10-29(11-9-28)25(31)18-7-6-16-3-1-4-17(16)13-18/h2,5-7,12-13,15H,1,3-4,8-11,14H2,(H,26,27,30)
InChIKeyAQRDHXRWHOLWHH-UHFFFAOYSA-N
XLogP4.16
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 39963991) is 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=C(c1ccc2c(c1)CCC2)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is AQRDHXRWHOLWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S2/c30-23-22-19(20-5-2-12-32-20)15-33-24(22)27-21(26-23)14-28-8-10-29(11-9-28)25(31)18-7-6-16-3-1-4-17(16)13-18/h2,5-7,12-13,15H,1,3-4,8-11,14H2,(H,26,27,30).
What are the key properties of 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 476.63 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39963991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).