2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

C22H29N5O3 — CID 46214882

IUPAC2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2CC(=O)Nc3ncc(-c4cnc(C(C)(C)O)cc4C)nc32)CC1
InChIInChI=1S/C22H29N5O3/c1-13-9-18(22(2,3)29)23-10-16(13)17-11-24-20-21(25-17)27(12-19(28)26-20)14-5-7-15(30-4)8-6-14/h9-11,14-15,29H,5-8,12H2,1-4H3,(H,24,26,28)
InChIKeyOKXFJZPFOWVLJA-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.79
Rot. Bonds4

About 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 46214882) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID46214882
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2CC(=O)Nc3ncc(-c4cnc(C(C)(C)O)cc4C)nc32)CC1
InChIInChI=1S/C22H29N5O3/c1-13-9-18(22(2,3)29)23-10-16(13)17-11-24-20-21(25-17)27(12-19(28)26-20)14-5-7-15(30-4)8-6-14/h9-11,14-15,29H,5-8,12H2,1-4H3,(H,24,26,28)
InChIKeyOKXFJZPFOWVLJA-UHFFFAOYSA-N
XLogP2.79
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 46214882) is 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(N2CC(=O)Nc3ncc(-c4cnc(C(C)(C)O)cc4C)nc32)CC1.
What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is OKXFJZPFOWVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-13-9-18(22(2,3)29)23-10-16(13)17-11-24-20-21(25-17)27(12-19(28)26-20)14-5-7-15(30-4)8-6-14/h9-11,14-15,29H,5-8,12H2,1-4H3,(H,24,26,28).
What are the key properties of 2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 411.51 g/mol, XLogP of 2.79, 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)-4-methyl-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 46214882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).