N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide

C30H25N5O2 — CID 89459070

About N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89459070) has the molecular formula C30H25N5O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89459070
• Molecular Formula: C30H25N5O2
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.20
• IUPAC Name: N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1cccc(Cc2ccccc2)c1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12
• InChI: InChI=1S/C30H25N5O2/c36-29(21-9-10-21)33-25-15-23(17-31-18-25)22-11-12-27-26(16-22)28(35-34-27)30(37)32-24-8-4-7-20(14-24)13-19-5-2-1-3-6-19/h1-8,11-12,14-18,21H,9-10,13H2,(H,32,37)(H,33,36)(H,34,35)
• InChIKey: YOMFIYXFIOXDGY-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89459070) is N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cccc(Cc2ccccc2)c1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12.

What is the InChIKey of N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is YOMFIYXFIOXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2/c36-29(21-9-10-21)33-25-15-23(17-31-18-25)22-11-12-27-26(16-22)28(35-34-27)30(37)32-24-8-4-7-20(14-24)13-19-5-2-1-3-6-19/h1-8,11-12,14-18,21H,9-10,13H2,(H,32,37)(H,33,36)(H,34,35).

What are the key properties of N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 5.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89459070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).