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

C29H34F3N5 — CID 118159397

IUPAC6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
SMILESCC(C)Nc1nc2c(nc1N1CCC([C@@H](F)c3ccc(F)cc3F)CC1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C29H34F3N5/c1-19(2)33-28-29(35-25-12-13-36(18-26(25)34-28)17-20-6-4-3-5-7-20)37-14-10-21(11-15-37)27(32)23-9-8-22(30)16-24(23)31/h3-9,16,19,21,27H,10-15,17-18H2,1-2H3,(H,33,34)/t27-/m1/s1
InChIKeyQPCUFEDFJQNGEB-HHHXNRCGSA-N
MW509.62 g/mol
LogP6.06
Rot. Bonds7

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

6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine (PubChem CID 118159397) has the molecular formula C29H34F3N5 and a molecular weight of 509.62 g/mol. Its IUPAC name is 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
PubChem CID118159397
Molecular FormulaC29H34F3N5
Molecular Weight509.62 g/mol
Exact Mass509.28
IUPAC Name6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
SMILESCC(C)Nc1nc2c(nc1N1CCC([C@@H](F)c3ccc(F)cc3F)CC1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C29H34F3N5/c1-19(2)33-28-29(35-25-12-13-36(18-26(25)34-28)17-20-6-4-3-5-7-20)37-14-10-21(11-15-37)27(32)23-9-8-22(30)16-24(23)31/h3-9,16,19,21,27H,10-15,17-18H2,1-2H3,(H,33,34)/t27-/m1/s1
InChIKeyQPCUFEDFJQNGEB-HHHXNRCGSA-N
XLogP6.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.62
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
CID 118159279
6-benzyl-3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
CID 118159184
[1-[6-benzyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperidin-4-yl]-(5-chloro-2-fluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 131734002
6-benzyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid
CID 131734047
6-benzyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
CID 177311998
6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
CID 118159187
N-cyclopropyl-3-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 155569033
[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanesulfinate
CID 137350926
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxylic acid
CID 135340759
6-benzyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1-ethylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine
CID 175992843
3-cyano-5-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-(propan-2-ylamino)pyrazine-2-carboxamide
CID 118309467
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

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?
The IUPAC name of 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine (CID 118159397) is 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?
The canonical SMILES for 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine is CC(C)Nc1nc2c(nc1N1CCC([C@@H](F)c3ccc(F)cc3F)CC1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?
The InChIKey is QPCUFEDFJQNGEB-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H34F3N5/c1-19(2)33-28-29(35-25-12-13-36(18-26(25)34-28)17-20-6-4-3-5-7-20)37-14-10-21(11-15-37)27(32)23-9-8-22(30)16-24(23)31/h3-9,16,19,21,27H,10-15,17-18H2,1-2H3,(H,33,34)/t27-/m1/s1.
What are the key properties of 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?
6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine has a molecular weight of 509.62 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 118159397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).