5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide

C23H23N7O2 — CID 144555481

About 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide (PubChem CID 144555481) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide
• PubChem CID: 144555481
• Molecular Formula: C23H23N7O2
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.19
• IUPAC Name: 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide
• SMILES: Nc1cncc(-c2ccc3[nH]nc(C(=O)NC4C=CC(C(=O)N5CCCC5)=NC4)c3c2)c1
• InChI: InChI=1S/C23H23N7O2/c24-16-9-15(11-25-12-16)14-3-5-19-18(10-14)21(29-28-19)22(31)27-17-4-6-20(26-13-17)23(32)30-7-1-2-8-30/h3-6,9-12,17H,1-2,7-8,13,24H2,(H,27,31)(H,28,29)
• InChIKey: RMDBDIKLRYWRGK-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 129.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide (CID 144555481) is 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide is Nc1cncc(-c2ccc3[nH]nc(C(=O)NC4C=CC(C(=O)N5CCCC5)=NC4)c3c2)c1.

What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide?

The InChIKey is RMDBDIKLRYWRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c24-16-9-15(11-25-12-16)14-3-5-19-18(10-14)21(29-28-19)22(31)27-17-4-6-20(26-13-17)23(32)30-7-1-2-8-30/h3-6,9-12,17H,1-2,7-8,13,24H2,(H,27,31)(H,28,29).

What are the key properties of 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide?

5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 144555481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).