1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

C26H32F2N4O3 — CID 170794076

IUPAC1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(C3CCC(O)CC3)nc2C1
InChIInChI=1S/C26H32F2N4O3/c1-16(33)32-13-10-22-23(15-32)29-25(17-2-5-19(34)6-3-17)26(30-22)31-11-8-20(9-12-31)35-24-7-4-18(27)14-21(24)28/h4,7,14,17,19-20,34H,2-3,5-6,8-13,15H2,1H3
InChIKeyVUKIDUQHBZWIGR-UHFFFAOYSA-N
MW486.56 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (PubChem CID 170794076) has the molecular formula C26H32F2N4O3 and a molecular weight of 486.56 g/mol. Its IUPAC name is 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
PubChem CID170794076
Molecular FormulaC26H32F2N4O3
Molecular Weight486.56 g/mol
Exact Mass486.24
IUPAC Name1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(C3CCC(O)CC3)nc2C1
InChIInChI=1S/C26H32F2N4O3/c1-16(33)32-13-10-22-23(15-32)29-25(17-2-5-19(34)6-3-17)26(30-22)31-11-8-20(9-12-31)35-24-7-4-18(27)14-21(24)28/h4,7,14,17,19-20,34H,2-3,5-6,8-13,15H2,1H3
InChIKeyVUKIDUQHBZWIGR-UHFFFAOYSA-N
XLogP3.73
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone with MolForge

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Related Compounds

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-piperidin-4-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 174258438
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170793804
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;hydrochloride
CID 155520163
1-[3-[[(2S)-butan-2-yl]amino]-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 118159206
1-[3-(butan-2-ylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 118159202
6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one
CID 170794217
1-[3-[(E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170794334
1-[3-(cyclobutylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155530682
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155551686
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[6-(methoxymethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170793746
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[1-(oxetan-3-yl)pyrazol-4-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 174256248
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170794245

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The IUPAC name of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (CID 170794076) is 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The canonical SMILES for 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(C3CCC(O)CC3)nc2C1.
What is the InChIKey of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The InChIKey is VUKIDUQHBZWIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O3/c1-16(33)32-13-10-22-23(15-32)29-25(17-2-5-19(34)6-3-17)26(30-22)31-11-8-20(9-12-31)35-24-7-4-18(27)14-21(24)28/h4,7,14,17,19-20,34H,2-3,5-6,8-13,15H2,1H3.
What are the key properties of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone has a molecular weight of 486.56 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is sourced from PubChem (CID 170794076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).