5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide

C25H29N7O — CID 144555414

About 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 144555414) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 144555414
• Molecular Formula: C25H29N7O
• Molecular Weight: 443.56 g/mol
• Exact Mass: 443.24
• IUPAC Name: 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CCCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cn1
• InChI: InChI=1S/C25H29N7O/c1-5-10-32(4)23-9-7-20(15-27-23)28-25(33)24-21-12-18(6-8-22(21)29-30-24)19-11-17(13-26-14-19)16-31(2)3/h6-9,11-15H,5,10,16H2,1-4H3,(H,28,33)(H,29,30)
• InChIKey: JVCXTECSPDMLMQ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.56
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 144555414) is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide is CCCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cn1.

What is the InChIKey of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is JVCXTECSPDMLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-5-10-32(4)23-9-7-20(15-27-23)28-25(33)24-21-12-18(6-8-22(21)29-30-24)19-11-17(13-26-14-19)16-31(2)3/h6-9,11-15H,5,10,16H2,1-4H3,(H,28,33)(H,29,30).

What are the key properties of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 443.56 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 144555414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).