N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine

C20H23F3N8 — CID 134503293

IUPACN-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESCc1ccc(CN2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1
InChIInChI=1S/C20H23F3N8/c1-13-5-6-15(19(28-13)31-26-7-8-27-31)12-30-9-3-4-16(14(30)2)29-18-11-24-17(10-25-18)20(21,22)23/h5-8,10-11,14,16H,3-4,9,12H2,1-2H3,(H,25,29)/t14-,16+/m0/s1
InChIKeyCYEYUKRFUKIUIB-GOEBONIOSA-N
MW432.45 g/mol
LogP3.24
Rot. Bonds5

About N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine

N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 134503293) has the molecular formula C20H23F3N8 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID134503293
Molecular FormulaC20H23F3N8
Molecular Weight432.45 g/mol
Exact Mass432.20
IUPAC NameN-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESCc1ccc(CN2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1
InChIInChI=1S/C20H23F3N8/c1-13-5-6-15(19(28-13)31-26-7-8-27-31)12-30-9-3-4-16(14(30)2)29-18-11-24-17(10-25-18)20(21,22)23/h5-8,10-11,14,16H,3-4,9,12H2,1-2H3,(H,25,29)/t14-,16+/m0/s1
InChIKeyCYEYUKRFUKIUIB-GOEBONIOSA-N
XLogP3.24
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine (CID 134503293) is N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine is Cc1ccc(CN2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1.
What is the InChIKey of N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is CYEYUKRFUKIUIB-GOEBONIOSA-N. The full InChI is InChI=1S/C20H23F3N8/c1-13-5-6-15(19(28-13)31-26-7-8-27-31)12-30-9-3-4-16(14(30)2)29-18-11-24-17(10-25-18)20(21,22)23/h5-8,10-11,14,16H,3-4,9,12H2,1-2H3,(H,25,29)/t14-,16+/m0/s1.
What are the key properties of N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 432.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 134503293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).