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

C22H29N5O3 — CID 59453077

IUPAC3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(CN2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
InChIInChI=1S/C22H29N5O3/c1-22(2,29)18-9-6-15(10-23-18)17-11-24-20-21(26-17)27(19(28)12-25-20)13-14-4-7-16(30-3)8-5-14/h6,9-11,14,16,29H,4-5,7-8,12-13H2,1-3H3,(H,24,25)
InChIKeyKXDXRGGNJRTDPF-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.73
Rot. Bonds5

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

3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453077) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453077
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(CN2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
InChIInChI=1S/C22H29N5O3/c1-22(2,29)18-9-6-15(10-23-18)17-11-24-20-21(26-17)27(19(28)12-25-20)13-14-4-7-16(30-3)8-5-14/h6,9-11,14,16,29H,4-5,7-8,12-13H2,1-3H3,(H,24,25)
InChIKeyKXDXRGGNJRTDPF-UHFFFAOYSA-N
XLogP2.73
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453077) is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(CN2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1.
What is the InChIKey of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is KXDXRGGNJRTDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-22(2,29)18-9-6-15(10-23-18)17-11-24-20-21(26-17)27(19(28)12-25-20)13-14-4-7-16(30-3)8-5-14/h6,9-11,14,16,29H,4-5,7-8,12-13H2,1-3H3,(H,24,25).
What are the key properties of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 411.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).