6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C22H24FN5O3 — CID 22560216

About 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560216) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

• Compound Name: 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
• PubChem CID: 22560216
• Molecular Formula: C22H24FN5O3
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.19
• IUPAC Name: 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
• SMILES: COc1c(N2CCC(C(N)c3cccnc3)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
• InChI: InChI=1S/C22H24FN5O3/c1-31-20-18(27-8-6-14(10-27)17(24)13-3-2-7-25-9-13)15(23)11-28-19(20)16(12-4-5-12)21(29)26-22(28)30/h2-3,7,9,11-12,14,17H,4-6,8,10,24H2,1H3,(H,26,29,30)
• InChIKey: GFUXHXUNZQBKCK-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?

The IUPAC name of 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560216) is 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

What is the SMILES notation for 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?

The canonical SMILES for 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCC(C(N)c3cccnc3)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.

What is the InChIKey of 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?

The InChIKey is GFUXHXUNZQBKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-31-20-18(27-8-6-14(10-27)17(24)13-3-2-7-25-9-13)15(23)11-28-19(20)16(12-4-5-12)21(29)26-22(28)30/h2-3,7,9,11-12,14,17H,4-6,8,10,24H2,1H3,(H,26,29,30).

What are the key properties of 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?

6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 425.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).