[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C24H25N5O2S — CID 45167428

IUPAC[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1ccc(CNc2ncnc3sc(C(=O)N4CCCCC4c4cccnc4)c(C)c23)o1
InChIInChI=1S/C24H25N5O2S/c1-15-8-9-18(31-15)13-26-22-20-16(2)21(32-23(20)28-14-27-22)24(30)29-11-4-3-7-19(29)17-6-5-10-25-12-17/h5-6,8-10,12,14,19H,3-4,7,11,13H2,1-2H3,(H,26,27,28)
InChIKeyCJEZZTBKYSTAFT-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.28
Rot. Bonds5

About [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 45167428) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID45167428
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1ccc(CNc2ncnc3sc(C(=O)N4CCCCC4c4cccnc4)c(C)c23)o1
InChIInChI=1S/C24H25N5O2S/c1-15-8-9-18(31-15)13-26-22-20-16(2)21(32-23(20)28-14-27-22)24(30)29-11-4-3-7-19(29)17-6-5-10-25-12-17/h5-6,8-10,12,14,19H,3-4,7,11,13H2,1-2H3,(H,26,27,28)
InChIKeyCJEZZTBKYSTAFT-UHFFFAOYSA-N
XLogP5.28
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 45167428) is [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1ccc(CNc2ncnc3sc(C(=O)N4CCCCC4c4cccnc4)c(C)c23)o1.
What is the InChIKey of [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is CJEZZTBKYSTAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15-8-9-18(31-15)13-26-22-20-16(2)21(32-23(20)28-14-27-22)24(30)29-11-4-3-7-19(29)17-6-5-10-25-12-17/h5-6,8-10,12,14,19H,3-4,7,11,13H2,1-2H3,(H,26,27,28).
What are the key properties of [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 447.56 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45167428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).