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

C19H16N6O2S — CID 122685432

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide
SMILESNC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3cccs3)n1)OCC2
InChIInChI=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)
InChIKeyBVWREJFERVTOFZ-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.52
Rot. Bonds5

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 Name1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide
PubChem CID122685432
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide
SMILESNC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3cccs3)n1)OCC2
InChIInChI=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)
InChIKeyBVWREJFERVTOFZ-UHFFFAOYSA-N
XLogP2.52
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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).

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