N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C25H25N5O3 — CID 142333750

About N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 142333750) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 142333750
• Molecular Formula: C25H25N5O3
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.20
• IUPAC Name: N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: CC1=C(O)C=CC(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)=CC1
• InChI: InChI=1S/C25H25N5O3/c1-16-2-4-19(5-7-23(16)31)27-25(32)24-21-13-17(3-6-22(21)28-29-24)18-12-20(15-26-14-18)30-8-10-33-11-9-30/h3-7,12-15,31H,2,8-11H2,1H3,(H,27,32)(H,28,29)
• InChIKey: CJJFQAKFVJYOQD-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 142333750) is N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is CC1=C(O)C=CC(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)=CC1.

What is the InChIKey of N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is CJJFQAKFVJYOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-2-4-19(5-7-23(16)31)27-25(32)24-21-13-17(3-6-22(21)28-29-24)18-12-20(15-26-14-18)30-8-10-33-11-9-30/h3-7,12-15,31H,2,8-11H2,1H3,(H,27,32)(H,28,29).

What are the key properties of N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 142333750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).