3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C63H80N14O7 — CID 158102506

IUPAC3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCC(O)CC2)C(=O)CN3)cn1.[2H]C1([2H])Cc2ncc(-c3ccc(C(C)(C)C)nc3)nc2N(C2CCC(C)CC2)C1=O.[2H]C1([2H])Nc2ncc(-c3ccc(C(C)(C)O)nc3)nc2N(C2CCC(O)CC2)C1=O
InChIInChI=1S/C23H30N4O.2C20H25N5O3/c1-15-5-8-17(9-6-15)27-21(28)12-10-18-22(27)26-19(14-24-18)16-7-11-20(25-13-16)23(2,3)4;2*1-20(2,28)16-8-3-12(9-21-16)15-10-22-18-19(24-15)25(17(27)11-23-18)13-4-6-14(26)7-5-13/h7,11,13-15,17H,5-6,8-10,12H2,1-4H3;2*3,8-10,13-14,26,28H,4-7,11H2,1-2H3,(H,22,23)/i12D2;11D2;
InChIKeyFPKYGDHPEYOZOQ-WLTKSVAQSA-N
MW1149.45 g/mol
LogP8.35
Rot. Bonds8

About 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 158102506) has the molecular formula C63H80N14O7 and a molecular weight of 1149.45 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID158102506
Molecular FormulaC63H80N14O7
Molecular Weight1149.45 g/mol
Exact Mass1148.66
IUPAC Name3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCC(O)CC2)C(=O)CN3)cn1.[2H]C1([2H])Cc2ncc(-c3ccc(C(C)(C)C)nc3)nc2N(C2CCC(C)CC2)C1=O.[2H]C1([2H])Nc2ncc(-c3ccc(C(C)(C)O)nc3)nc2N(C2CCC(O)CC2)C1=O
InChIInChI=1S/C23H30N4O.2C20H25N5O3/c1-15-5-8-17(9-6-15)27-21(28)12-10-18-22(27)26-19(14-24-18)16-7-11-20(25-13-16)23(2,3)4;2*1-20(2,28)16-8-3-12(9-21-16)15-10-22-18-19(24-15)25(17(27)11-23-18)13-4-6-14(26)7-5-13/h7,11,13-15,17H,5-6,8-10,12H2,1-4H3;2*3,8-10,13-14,26,28H,4-7,11H2,1-2H3,(H,22,23)/i12D2;11D2;
InChIKeyFPKYGDHPEYOZOQ-WLTKSVAQSA-N
XLogP8.35
TPSA281.92 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001149.45
LogP ≤ 58.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 158102506) is 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCC(O)CC2)C(=O)CN3)cn1.[2H]C1([2H])Cc2ncc(-c3ccc(C(C)(C)C)nc3)nc2N(C2CCC(C)CC2)C1=O.[2H]C1([2H])Nc2ncc(-c3ccc(C(C)(C)O)nc3)nc2N(C2CCC(O)CC2)C1=O.
What is the InChIKey of 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is FPKYGDHPEYOZOQ-WLTKSVAQSA-N. The full InChI is InChI=1S/C23H30N4O.2C20H25N5O3/c1-15-5-8-17(9-6-15)27-21(28)12-10-18-22(27)26-19(14-24-18)16-7-11-20(25-13-16)23(2,3)4;2*1-20(2,28)16-8-3-12(9-21-16)15-10-22-18-19(24-15)25(17(27)11-23-18)13-4-6-14(26)7-5-13/h7,11,13-15,17H,5-6,8-10,12H2,1-4H3;2*3,8-10,13-14,26,28H,4-7,11H2,1-2H3,(H,22,23)/i12D2;11D2;.
What are the key properties of 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 1149.45 g/mol, XLogP of 8.35, 8 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-3-pyridinyl)-7,7-dideuterio-5-(4-methylcyclohexyl)-8H-pyrido[2,3-b]pyrazin-6-one;2,2-dideuterio-4-(4-hydroxycyclohexyl)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazino[2,3-b]pyrazin-3-one;5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 158102506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).