N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C35H36F3N7OSi — CID 163253523

IUPACN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(C(F)(F)F)cc3)cn2n1
InChIInChI=1S/C35H36F3N7OSi/c1-24(23-46-47(34(2,3)4,28-12-8-6-9-13-28)29-14-10-7-11-15-29)40-33-42-32-31(26-20-39-44(5)21-26)41-30(22-45(32)43-33)25-16-18-27(19-17-25)35(36,37)38/h6-22,24H,23H2,1-5H3,(H,40,43)/t24-/m0/s1
InChIKeyUKZWOWYFOGCDTD-DEOSSOPVSA-N
MW655.80 g/mol
LogP6.59
Rot. Bonds9

About N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 163253523) has the molecular formula C35H36F3N7OSi and a molecular weight of 655.80 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID163253523
Molecular FormulaC35H36F3N7OSi
Molecular Weight655.80 g/mol
Exact Mass655.27
IUPAC NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(C(F)(F)F)cc3)cn2n1
InChIInChI=1S/C35H36F3N7OSi/c1-24(23-46-47(34(2,3)4,28-12-8-6-9-13-28)29-14-10-7-11-15-29)40-33-42-32-31(26-20-39-44(5)21-26)41-30(22-45(32)43-33)25-16-18-27(19-17-25)35(36,37)38/h6-22,24H,23H2,1-5H3,(H,40,43)/t24-/m0/s1
InChIKeyUKZWOWYFOGCDTD-DEOSSOPVSA-N
XLogP6.59
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 163253523) is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(C(F)(F)F)cc3)cn2n1.
What is the InChIKey of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is UKZWOWYFOGCDTD-DEOSSOPVSA-N. The full InChI is InChI=1S/C35H36F3N7OSi/c1-24(23-46-47(34(2,3)4,28-12-8-6-9-13-28)29-14-10-7-11-15-29)40-33-42-32-31(26-20-39-44(5)21-26)41-30(22-45(32)43-33)25-16-18-27(19-17-25)35(36,37)38/h6-22,24H,23H2,1-5H3,(H,40,43)/t24-/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 655.80 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 163253523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).