ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol

C24H38N4O2 — CID 143580456

IUPACethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol
SMILESCC.COc1nc(C(C)C)ccc1-c1nc2c(nc1C)C(C(C)CCO)CCN2C
InChIInChI=1S/C22H32N4O2.C2H6/c1-13(2)18-8-7-17(22(24-18)28-6)19-15(4)23-20-16(14(3)10-12-27)9-11-26(5)21(20)25-19;1-2/h7-8,13-14,16,27H,9-12H2,1-6H3;1-2H3
InChIKeyBQZACPQZQYCPQG-UHFFFAOYSA-N
MW414.59 g/mol
LogP4.95
Rot. Bonds6

About ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol

ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol (PubChem CID 143580456) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol.

Molecular Properties

Compound Nameethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol
PubChem CID143580456
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Nameethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol
SMILESCC.COc1nc(C(C)C)ccc1-c1nc2c(nc1C)C(C(C)CCO)CCN2C
InChIInChI=1S/C22H32N4O2.C2H6/c1-13(2)18-8-7-17(22(24-18)28-6)19-15(4)23-20-16(14(3)10-12-27)9-11-26(5)21(20)25-19;1-2/h7-8,13-14,16,27H,9-12H2,1-6H3;1-2H3
InChIKeyBQZACPQZQYCPQG-UHFFFAOYSA-N
XLogP4.95
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol?
The IUPAC name of ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol (CID 143580456) is ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol.
What is the SMILES notation for ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol?
The canonical SMILES for ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol is CC.COc1nc(C(C)C)ccc1-c1nc2c(nc1C)C(C(C)CCO)CCN2C.
What is the InChIKey of ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol?
The InChIKey is BQZACPQZQYCPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2.C2H6/c1-13(2)18-8-7-17(22(24-18)28-6)19-15(4)23-20-16(14(3)10-12-27)9-11-26(5)21(20)25-19;1-2/h7-8,13-14,16,27H,9-12H2,1-6H3;1-2H3.
What are the key properties of ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol?
ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol has a molecular weight of 414.59 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol is sourced from PubChem (CID 143580456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).