3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride

C20H24Cl3N5O3 — CID 142602125

About 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride

3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride (PubChem CID 142602125) has the molecular formula C20H24Cl3N5O3 and a molecular weight of 488.80 g/mol. Its IUPAC name is 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride.

Molecular Properties

• Compound Name: 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride
• PubChem CID: 142602125
• Molecular Formula: C20H24Cl3N5O3
• Molecular Weight: 488.80 g/mol
• Exact Mass: 487.09
• IUPAC Name: 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride
• SMILES: Cl.Cl.Cl.O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2ccc(-c3cccnc3)nc2c1=O
• InChI: InChI=1S/C20H21N5O3.3ClH/c26-14(9-17-18(27)4-2-8-22-17)11-25-12-23-16-6-5-15(24-19(16)20(25)28)13-3-1-7-21-10-13;;;/h1,3,5-7,10,12,17-18,22,27H,2,4,8-9,11H2;3*1H/t17-,18+;;;/m1.../s1
• InChIKey: UNIGOZURSCSKTH-WOOBXXRVSA-N
• XLogP: 2.19
• TPSA: 110.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.80
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride?

The IUPAC name of 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride (CID 142602125) is 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride.

What is the SMILES notation for 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride?

The canonical SMILES for 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride is Cl.Cl.Cl.O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2ccc(-c3cccnc3)nc2c1=O.

What is the InChIKey of 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride?

The InChIKey is UNIGOZURSCSKTH-WOOBXXRVSA-N. The full InChI is InChI=1S/C20H21N5O3.3ClH/c26-14(9-17-18(27)4-2-8-22-17)11-25-12-23-16-6-5-15(24-19(16)20(25)28)13-3-1-7-21-10-13;;;/h1,3,5-7,10,12,17-18,22,27H,2,4,8-9,11H2;3*1H/t17-,18+;;;/m1.../s1.

What are the key properties of 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride?

3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride has a molecular weight of 488.80 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one;trihydrochloride is sourced from PubChem (CID 142602125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).