(7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one

C22H24FN7O2 — CID 171398974

About (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one

(7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one (PubChem CID 171398974) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one.

Molecular Properties

• Compound Name: (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one
• PubChem CID: 171398974
• Molecular Formula: C22H24FN7O2
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.20
• IUPAC Name: (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one
• SMILES: COc1c(F)cccc1Nc1c(-c2ccnc(N)n2)[nH]c2c1C(=O)NC[C@]21CCCNC1
• InChI: InChI=1S/C22H24FN7O2/c1-32-18-12(23)4-2-5-14(18)28-17-15-19(30-16(17)13-6-9-26-21(24)29-13)22(11-27-20(15)31)7-3-8-25-10-22/h2,4-6,9,25,28,30H,3,7-8,10-11H2,1H3,(H,27,31)(H2,24,26,29)/t22-/m1/s1
• InChIKey: GWERWWVXHAINLX-JOCHJYFZSA-N
• XLogP: 2.31
• TPSA: 129.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one?

The IUPAC name of (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one (CID 171398974) is (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one.

What is the SMILES notation for (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one?

The canonical SMILES for (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one is COc1c(F)cccc1Nc1c(-c2ccnc(N)n2)[nH]c2c1C(=O)NC[C@]21CCCNC1.

What is the InChIKey of (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one?

The InChIKey is GWERWWVXHAINLX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-32-18-12(23)4-2-5-14(18)28-17-15-19(30-16(17)13-6-9-26-21(24)29-13)22(11-27-20(15)31)7-3-8-25-10-22/h2,4-6,9,25,28,30H,3,7-8,10-11H2,1H3,(H,27,31)(H2,24,26,29)/t22-/m1/s1.

What are the key properties of (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one?

(7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one has a molecular weight of 437.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-(2-aminopyrimidin-4-yl)-3-(3-fluoro-2-methoxyanilino)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one is sourced from PubChem (CID 171398974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).