1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide

C21H21N7OS — CID 122685597

About 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide

1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide (PubChem CID 122685597) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide
• PubChem CID: 122685597
• Molecular Formula: C21H21N7OS
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.15
• IUPAC Name: 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide
• SMILES: CN1CCc2nc(-n3ncc4c(C(N)=O)cccc43)nc(NCc3cccs3)c2C1
• InChI: InChI=1S/C21H21N7OS/c1-27-8-7-17-16(12-27)20(23-10-13-4-3-9-30-13)26-21(25-17)28-18-6-2-5-14(19(22)29)15(18)11-24-28/h2-6,9,11H,7-8,10,12H2,1H3,(H2,22,29)(H,23,25,26)
• InChIKey: VZVWHXWHMDQAGW-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 101.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide?

The IUPAC name of 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide (CID 122685597) is 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide.

What is the SMILES notation for 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide?

The canonical SMILES for 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide is CN1CCc2nc(-n3ncc4c(C(N)=O)cccc43)nc(NCc3cccs3)c2C1.

What is the InChIKey of 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide?

The InChIKey is VZVWHXWHMDQAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-27-8-7-17-16(12-27)20(23-10-13-4-3-9-30-13)26-21(25-17)28-18-6-2-5-14(19(22)29)15(18)11-24-28/h2-6,9,11H,7-8,10,12H2,1H3,(H2,22,29)(H,23,25,26).

What are the key properties of 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide?

1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide is sourced from PubChem (CID 122685597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).