4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide

C21H21N5O4 — CID 47029950

About 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide

4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide (PubChem CID 47029950) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
• PubChem CID: 47029950
• Molecular Formula: C21H21N5O4
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.16
• IUPAC Name: 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
• SMILES: COc1cc(OC)c2cc(C(=O)NCc3ccc(-n4cccn4)nc3)[nH]c2c1OC
• InChI: InChI=1S/C21H21N5O4/c1-28-16-10-17(29-2)20(30-3)19-14(16)9-15(25-19)21(27)23-12-13-5-6-18(22-11-13)26-8-4-7-24-26/h4-11,25H,12H2,1-3H3,(H,23,27)
• InChIKey: BXJIACRMPXCMTD-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 103.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide?

The IUPAC name of 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide (CID 47029950) is 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide?

The canonical SMILES for 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)NCc3ccc(-n4cccn4)nc3)[nH]c2c1OC.

What is the InChIKey of 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide?

The InChIKey is BXJIACRMPXCMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-28-16-10-17(29-2)20(30-3)19-14(16)9-15(25-19)21(27)23-12-13-5-6-18(22-11-13)26-8-4-7-24-26/h4-11,25H,12H2,1-3H3,(H,23,27).

What are the key properties of 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide?

4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 47029950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).