4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide

C22H20FN5O2 — CID 135963278

About 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide

4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 135963278) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide
• PubChem CID: 135963278
• Molecular Formula: C22H20FN5O2
• Molecular Weight: 405.43 g/mol
• Exact Mass: 405.16
• IUPAC Name: 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide
• SMILES: CC(C)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1
• InChI: InChI=1S/C22H20FN5O2/c1-12(2)20(17-11-19(29)27-21(26-17)16-7-3-4-9-24-16)28-22(30)18-10-13-14(23)6-5-8-15(13)25-18/h3-12,20,25H,1-2H3,(H,28,30)(H,26,27,29)/t20-/m1/s1
• InChIKey: LWHAZXJGZZTREF-HXUWFJFHSA-N
• XLogP: 3.58
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.43
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide?

The IUPAC name of 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide (CID 135963278) is 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide is CC(C)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1.

What is the InChIKey of 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide?

The InChIKey is LWHAZXJGZZTREF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-12(2)20(17-11-19(29)27-21(26-17)16-7-3-4-9-24-16)28-22(30)18-10-13-14(23)6-5-8-15(13)25-18/h3-12,20,25H,1-2H3,(H,28,30)(H,26,27,29)/t20-/m1/s1.

What are the key properties of 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide?

4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 135963278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).