(7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide

C27H23Cl2N5O — CID 134150307

About (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide

(7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide (PubChem CID 134150307) has the molecular formula C27H23Cl2N5O and a molecular weight of 504.42 g/mol. Its IUPAC name is (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
• PubChem CID: 134150307
• Molecular Formula: C27H23Cl2N5O
• Molecular Weight: 504.42 g/mol
• Exact Mass: 503.13
• IUPAC Name: (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCC/C2=C\c1ccc(Cl)cn1)c1ccccn1
• InChI: InChI=1S/C27H23Cl2N5O/c1-17(24-7-2-3-14-30-24)32-27(35)25-23-6-4-5-18(15-21-11-8-20(29)16-31-21)26(23)34(33-25)22-12-9-19(28)10-13-22/h2-3,7-17H,4-6H2,1H3,(H,32,35)/b18-15+/t17-/m1/s1
• InChIKey: GKAXOANONMZCFR-PQMNFKMDSA-N
• XLogP: 6.34
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.42
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide?

The IUPAC name of (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide (CID 134150307) is (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide.

What is the SMILES notation for (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide?

The canonical SMILES for (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide is C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCC/C2=C\c1ccc(Cl)cn1)c1ccccn1.

What is the InChIKey of (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide?

The InChIKey is GKAXOANONMZCFR-PQMNFKMDSA-N. The full InChI is InChI=1S/C27H23Cl2N5O/c1-17(24-7-2-3-14-30-24)32-27(35)25-23-6-4-5-18(15-21-11-8-20(29)16-31-21)26(23)34(33-25)22-12-9-19(28)10-13-22/h2-3,7-17H,4-6H2,1H3,(H,32,35)/b18-15+/t17-/m1/s1.

What are the key properties of (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide?

(7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide has a molecular weight of 504.42 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-1-(4-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 134150307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).