3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide

C25H30F3N9O2 — CID 118875840

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)C2(N)CN=C(c3nc(N4CC(O)C4)ccc3C(F)(F)F)C=N2)CC1
InChIInChI=1S/C25H30F3N9O2/c1-23(29)6-9-36(10-7-23)18-3-2-8-31-21(18)35-22(39)24(30)14-32-17(11-33-24)20-16(25(26,27)28)4-5-19(34-20)37-12-15(38)13-37/h2-5,8,11,15,38H,6-7,9-10,12-14,29-30H2,1H3,(H,31,35,39)
InChIKeyHXUUERFTTGENEK-UHFFFAOYSA-N
MW545.57 g/mol
LogP1.16
Rot. Bonds5

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide (PubChem CID 118875840) has the molecular formula C25H30F3N9O2 and a molecular weight of 545.57 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide
PubChem CID118875840
Molecular FormulaC25H30F3N9O2
Molecular Weight545.57 g/mol
Exact Mass545.25
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)C2(N)CN=C(c3nc(N4CC(O)C4)ccc3C(F)(F)F)C=N2)CC1
InChIInChI=1S/C25H30F3N9O2/c1-23(29)6-9-36(10-7-23)18-3-2-8-31-21(18)35-22(39)24(30)14-32-17(11-33-24)20-16(25(26,27)28)4-5-19(34-20)37-12-15(38)13-37/h2-5,8,11,15,38H,6-7,9-10,12-14,29-30H2,1H3,(H,31,35,39)
InChIKeyHXUUERFTTGENEK-UHFFFAOYSA-N
XLogP1.16
TPSA158.35 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.57
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 118873328
4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 70929989
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 118873275
3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 118900356
3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 118873296
3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 107325193
1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 67949978
4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896094
(3R,4R)-4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol
CID 139365351
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 129241108
4-hydroxy-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 16794593

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide (CID 118875840) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)C2(N)CN=C(c3nc(N4CC(O)C4)ccc3C(F)(F)F)C=N2)CC1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide?
The InChIKey is HXUUERFTTGENEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N9O2/c1-23(29)6-9-36(10-7-23)18-3-2-8-31-21(18)35-22(39)24(30)14-32-17(11-33-24)20-16(25(26,27)28)4-5-19(34-20)37-12-15(38)13-37/h2-5,8,11,15,38H,6-7,9-10,12-14,29-30H2,1H3,(H,31,35,39).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide has a molecular weight of 545.57 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazine-3-carboxamide is sourced from PubChem (CID 118875840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).