1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide

C19H16N6O2S — CID 122685432

About 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide

1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide (PubChem CID 122685432) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide
• PubChem CID: 122685432
• Molecular Formula: C19H16N6O2S
• Molecular Weight: 392.44 g/mol
• Exact Mass: 392.11
• IUPAC Name: 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide
• SMILES: NC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3cccs3)n1)OCC2
• InChI: InChI=1S/C19H16N6O2S/c20-17(26)12-4-1-5-15-13(12)10-22-25(15)19-23-14-6-7-27-16(14)18(24-19)21-9-11-3-2-8-28-11/h1-5,8,10H,6-7,9H2,(H2,20,26)(H,21,23,24)
• InChIKey: BVWREJFERVTOFZ-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 107.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.44
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide?

The IUPAC name of 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide (CID 122685432) is 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide.

What is the SMILES notation for 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide?

The canonical SMILES for 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide is NC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3cccs3)n1)OCC2.

What is the InChIKey of 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide?

The InChIKey is BVWREJFERVTOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c20-17(26)12-4-1-5-15-13(12)10-22-25(15)19-23-14-6-7-27-16(14)18(24-19)21-9-11-3-2-8-28-11/h1-5,8,10H,6-7,9H2,(H2,20,26)(H,21,23,24).

What are the key properties of 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide?

1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide is sourced from PubChem (CID 122685432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).