6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine

C23H29F4N5O — CID 118159142

IUPAC6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
SMILESCC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(CC(F)F)CC2
InChIInChI=1S/C23H29F4N5O/c1-14(2)28-22-23(30-19-12-31(13-21(26)27)8-7-18(19)29-22)32-9-5-16(6-10-32)33-20-4-3-15(24)11-17(20)25/h3-4,11,14,16,21H,5-10,12-13H2,1-2H3,(H,28,29)
InChIKeyZATIEATULNKCIF-UHFFFAOYSA-N
MW467.51 g/mol
LogP4.25
Rot. Bonds7

About 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine

6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine (PubChem CID 118159142) has the molecular formula C23H29F4N5O and a molecular weight of 467.51 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
PubChem CID118159142
Molecular FormulaC23H29F4N5O
Molecular Weight467.51 g/mol
Exact Mass467.23
IUPAC Name6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
SMILESCC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(CC(F)F)CC2
InChIInChI=1S/C23H29F4N5O/c1-14(2)28-22-23(30-19-12-31(13-21(26)27)8-7-18(19)29-22)32-9-5-16(6-10-32)33-20-4-3-15(24)11-17(20)25/h3-4,11,14,16,21H,5-10,12-13H2,1-2H3,(H,28,29)
InChIKeyZATIEATULNKCIF-UHFFFAOYSA-N
XLogP4.25
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Cvn-424
CID 137359492
1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[(propan-2-yl)amino]-5H,6H,7H,8H-pyrido[3,4-b]pyrazin-6-yl}ethan-1-one
CID 91810771
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
CID 91827633
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine
CID 118310193
N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
CID 118320493
1-(3-(2,2-difluoroethylamino)-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone
CID 118159119
2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 118159122
[3-[[6-acetyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]amino]cyclobutyl] acetate
CID 118159128
1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone
CID 118159131
2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-6-(methyl-L-prolyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine
CID 118159140
1-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)propan-1-one
CID 118159148
2-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-N-isopropyl-6-methyl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
CID 118159150

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine (CID 118159142) is 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine is CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(CC(F)F)CC2.
What is the InChIKey of 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is ZATIEATULNKCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F4N5O/c1-14(2)28-22-23(30-19-12-31(13-21(26)27)8-7-18(19)29-22)32-9-5-16(6-10-32)33-20-4-3-15(24)11-17(20)25/h3-4,11,14,16,21H,5-10,12-13H2,1-2H3,(H,28,29).
What are the key properties of 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine?
6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 467.51 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118159142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).