N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine

C27H25F3N4O — CID 143473720

IUPACN-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine
SMILESCc1ccc([C@@](Cc2ccccc2)(Nc2cnccn2)c2cccc(OC(F)(F)C(C)F)c2)nc1
InChIInChI=1S/C27H25F3N4O/c1-19-11-12-24(33-17-19)26(16-21-7-4-3-5-8-21,34-25-18-31-13-14-32-25)22-9-6-10-23(15-22)35-27(29,30)20(2)28/h3-15,17-18,20H,16H2,1-2H3,(H,32,34)/t20?,26-/m0/s1
InChIKeyHBVLVBJNUBISRF-GHZUAHJPSA-N
MW478.52 g/mol
LogP6.11
Rot. Bonds9

About N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine

N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine (PubChem CID 143473720) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine
PubChem CID143473720
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC NameN-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine
SMILESCc1ccc([C@@](Cc2ccccc2)(Nc2cnccn2)c2cccc(OC(F)(F)C(C)F)c2)nc1
InChIInChI=1S/C27H25F3N4O/c1-19-11-12-24(33-17-19)26(16-21-7-4-3-5-8-21,34-25-18-31-13-14-32-25)22-9-6-10-23(15-22)35-27(29,30)20(2)28/h3-15,17-18,20H,16H2,1-2H3,(H,32,34)/t20?,26-/m0/s1
InChIKeyHBVLVBJNUBISRF-GHZUAHJPSA-N
XLogP6.11
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine?
The IUPAC name of N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine (CID 143473720) is N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine.
What is the SMILES notation for N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine?
The canonical SMILES for N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine is Cc1ccc([C@@](Cc2ccccc2)(Nc2cnccn2)c2cccc(OC(F)(F)C(C)F)c2)nc1.
What is the InChIKey of N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine?
The InChIKey is HBVLVBJNUBISRF-GHZUAHJPSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-19-11-12-24(33-17-19)26(16-21-7-4-3-5-8-21,34-25-18-31-13-14-32-25)22-9-6-10-23(15-22)35-27(29,30)20(2)28/h3-15,17-18,20H,16H2,1-2H3,(H,32,34)/t20?,26-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine?
N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine has a molecular weight of 478.52 g/mol, XLogP of 6.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine is sourced from PubChem (CID 143473720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).