1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol

C24H30F2N6O — CID 177190927

IUPAC1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
SMILESCCNc1nc2cnc(CC(C)(C)O)cc2nc1N1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H30F2N6O/c1-4-27-22-23(30-20-12-18(13-24(2,3)33)28-14-21(20)29-22)32-9-7-31(8-10-32)15-16-5-6-17(25)11-19(16)26/h5-6,11-12,14,33H,4,7-10,13,15H2,1-3H3,(H,27,29)
InChIKeyUKOIVJAHXVIWQA-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.37
Rot. Bonds7

About 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol

1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol (PubChem CID 177190927) has the molecular formula C24H30F2N6O and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
PubChem CID177190927
Molecular FormulaC24H30F2N6O
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
SMILESCCNc1nc2cnc(CC(C)(C)O)cc2nc1N1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H30F2N6O/c1-4-27-22-23(30-20-12-18(13-24(2,3)33)28-14-21(20)29-22)32-9-7-31(8-10-32)15-16-5-6-17(25)11-19(16)26/h5-6,11-12,14,33H,4,7-10,13,15H2,1-3H3,(H,27,29)
InChIKeyUKOIVJAHXVIWQA-UHFFFAOYSA-N
XLogP3.37
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol (CID 177190927) is 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol is CCNc1nc2cnc(CC(C)(C)O)cc2nc1N1CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol?
The InChIKey is UKOIVJAHXVIWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6O/c1-4-27-22-23(30-20-12-18(13-24(2,3)33)28-14-21(20)29-22)32-9-7-31(8-10-32)15-16-5-6-17(25)11-19(16)26/h5-6,11-12,14,33H,4,7-10,13,15H2,1-3H3,(H,27,29).
What are the key properties of 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol?
1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol has a molecular weight of 456.54 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(ethylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 177190927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).