2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen

C20H29N5O3 — CID 162162454

About 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen (PubChem CID 162162454) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
• PubChem CID: 162162454
• Molecular Formula: C20H29N5O3
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.23
• IUPAC Name: 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
• SMILES: CO[C@H]1CCC(N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)C1.[H][H].[H][H]
• InChI: InChI=1S/C20H25N5O3.2H2/c1-20(2,27)16-7-4-12(9-21-16)15-10-22-18-19(23-15)25(11-17(26)24-18)13-5-6-14(8-13)28-3;;/h4,7,9-10,13-14,27H,5-6,8,11H2,1-3H3,(H,22,24,26);2*1H/t13?,14-;;/m0../s1
• InChIKey: ZMRBHAWVRUDFKL-HNYZGNTBSA-N
• XLogP: 2.58
• TPSA: 100.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen?

The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen (CID 162162454) is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen.

What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen?

The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen is CO[C@H]1CCC(N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)C1.[H][H].[H][H].

What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen?

The InChIKey is ZMRBHAWVRUDFKL-HNYZGNTBSA-N. The full InChI is InChI=1S/C20H25N5O3.2H2/c1-20(2,27)16-7-4-12(9-21-16)15-10-22-18-19(23-15)25(11-17(26)24-18)13-5-6-14(8-13)28-3;;/h4,7,9-10,13-14,27H,5-6,8,11H2,1-3H3,(H,22,24,26);2*1H/t13?,14-;;/m0../s1.

What are the key properties of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen?

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen has a molecular weight of 387.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen is sourced from PubChem (CID 162162454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).