(5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone

C22H24FN5O — CID 92608930

About (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 92608930) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
• PubChem CID: 92608930
• Molecular Formula: C22H24FN5O
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.20
• IUPAC Name: (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
• SMILES: CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)ncc2C1
• InChI: InChI=1S/C22H24FN5O/c1-27-8-6-19-16(12-27)11-24-21(26-19)14-3-2-7-28(13-14)22(29)20-10-15-9-17(23)4-5-18(15)25-20/h4-5,9-11,14,25H,2-3,6-8,12-13H2,1H3/t14-/m1/s1
• InChIKey: JHARVZIFONIOCS-CQSZACIVSA-N
• XLogP: 3.10
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?

The IUPAC name of (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 92608930) is (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)ncc2C1.

What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?

The InChIKey is JHARVZIFONIOCS-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-27-8-6-19-16(12-27)11-24-21(26-19)14-3-2-7-28(13-14)22(29)20-10-15-9-17(23)4-5-18(15)25-20/h4-5,9-11,14,25H,2-3,6-8,12-13H2,1H3/t14-/m1/s1.

What are the key properties of (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 393.47 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92608930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).