4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C30H30FN5O3 — CID 162356443

About 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 162356443) has the molecular formula C30H30FN5O3 and a molecular weight of 527.60 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 162356443
• Molecular Formula: C30H30FN5O3
• Molecular Weight: 527.60 g/mol
• Exact Mass: 527.23
• IUPAC Name: 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CCNC(=O)c1cc2c(-c3cc4c(cnn4CC4(F)CC4)cc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
• InChI: InChI=1S/C30H30FN5O3/c1-5-32-28(37)23-12-21-22(15-35(4)29(38)26(21)34-23)20-13-24-19(14-33-36(24)16-30(31)9-10-30)11-25(20)39-27-17(2)7-6-8-18(27)3/h6-8,11-15,34H,5,9-10,16H2,1-4H3,(H,32,37)
• InChIKey: SUURYPXFQZKYBF-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 93.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.60
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 162356443) is 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc4c(cnn4CC4(F)CC4)cc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1.

What is the InChIKey of 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is SUURYPXFQZKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O3/c1-5-32-28(37)23-12-21-22(15-35(4)29(38)26(21)34-23)20-13-24-19(14-33-36(24)16-30(31)9-10-30)11-25(20)39-27-17(2)7-6-8-18(27)3/h6-8,11-15,34H,5,9-10,16H2,1-4H3,(H,32,37).

What are the key properties of 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 527.60 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162356443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).