[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone

C27H21N7O — CID 158875544

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone (PubChem CID 158875544) has the molecular formula C27H21N7O and a molecular weight of 459.51 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone.

Molecular Properties

• Compound Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone
• PubChem CID: 158875544
• Molecular Formula: C27H21N7O
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.18
• IUPAC Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone
• SMILES: Cc1nc2ccc(-n3ncc(C(=O)C4=CC(c5cccnc5)=C(c5cccnc5)C4)c3N)cc2[nH]1
• InChI: InChI=1S/C27H21N7O/c1-16-32-24-7-6-20(12-25(24)33-16)34-27(28)23(15-31-34)26(35)19-10-21(17-4-2-8-29-13-17)22(11-19)18-5-3-9-30-14-18/h2-10,12-15H,11,28H2,1H3,(H,32,33)
• InChIKey: JCJPRDPZZOWEGS-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 115.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone?

The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone (CID 158875544) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone.

What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone?

The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone is Cc1nc2ccc(-n3ncc(C(=O)C4=CC(c5cccnc5)=C(c5cccnc5)C4)c3N)cc2[nH]1.

What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone?

The InChIKey is JCJPRDPZZOWEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O/c1-16-32-24-7-6-20(12-25(24)33-16)34-27(28)23(15-31-34)26(35)19-10-21(17-4-2-8-29-13-17)22(11-19)18-5-3-9-30-14-18/h2-10,12-15H,11,28H2,1H3,(H,32,33).

What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone?

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone has a molecular weight of 459.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone is sourced from PubChem (CID 158875544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).