1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C24H27FN4O2 — CID 42792459

About 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 42792459) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
• PubChem CID: 42792459
• Molecular Formula: C24H27FN4O2
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.21
• IUPAC Name: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
• SMILES: Cc1c(N2CCOCC2)c(C)n(Cc2cccc(F)c2)c1C(=O)NCc1ccncc1
• InChI: InChI=1S/C24H27FN4O2/c1-17-22(28-10-12-31-13-11-28)18(2)29(16-20-4-3-5-21(25)14-20)23(17)24(30)27-15-19-6-8-26-9-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,27,30)
• InChIKey: KYUIACJUIFTFSJ-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.50
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?

The IUPAC name of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 42792459) is 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?

The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is Cc1c(N2CCOCC2)c(C)n(Cc2cccc(F)c2)c1C(=O)NCc1ccncc1.

What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?

The InChIKey is KYUIACJUIFTFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-17-22(28-10-12-31-13-11-28)18(2)29(16-20-4-3-5-21(25)14-20)23(17)24(30)27-15-19-6-8-26-9-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,27,30).

What are the key properties of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?

1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42792459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).