3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol

C23H21N5O2S — CID 58140079

About 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol

3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol (PubChem CID 58140079) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
• PubChem CID: 58140079
• Molecular Formula: C23H21N5O2S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.14
• IUPAC Name: 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
• SMILES: Cc1cc(Nc2ncnc3sc(CCCO)cc23)ccc1Oc1ccn2ccnc2c1
• InChI: InChI=1S/C23H21N5O2S/c1-15-11-16(4-5-20(15)30-17-6-8-28-9-7-24-21(28)12-17)27-22-19-13-18(3-2-10-29)31-23(19)26-14-25-22/h4-9,11-14,29H,2-3,10H2,1H3,(H,25,26,27)
• InChIKey: IWCRGOPDRHOORA-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 84.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?

The IUPAC name of 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol (CID 58140079) is 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol.

What is the SMILES notation for 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?

The canonical SMILES for 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol is Cc1cc(Nc2ncnc3sc(CCCO)cc23)ccc1Oc1ccn2ccnc2c1.

What is the InChIKey of 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?

The InChIKey is IWCRGOPDRHOORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-15-11-16(4-5-20(15)30-17-6-8-28-9-7-24-21(28)12-17)27-22-19-13-18(3-2-10-29)31-23(19)26-14-25-22/h4-9,11-14,29H,2-3,10H2,1H3,(H,25,26,27).

What are the key properties of 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?

3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol has a molecular weight of 431.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 58140079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).