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

C37H39F2N7OSi — CID 163253538

IUPACN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1nc2c(-c3cnn(C4CC4)c3)nc(-c3ccc(C(F)F)cc3)cn2n1
InChIInChI=1S/C37H39F2N7OSi/c1-25(24-47-48(37(2,3)4,30-11-7-5-8-12-30)31-13-9-6-10-14-31)41-36-43-35-33(28-21-40-45(22-28)29-19-20-29)42-32(23-46(35)44-36)26-15-17-27(18-16-26)34(38)39/h5-18,21-23,25,29,34H,19-20,24H2,1-4H3,(H,41,44)/t25-/m0/s1
InChIKeyDVWBPKZRCKVKSP-VWLOTQADSA-N
MW663.85 g/mol
LogP7.30
Rot. Bonds11

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

N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 163253538) has the molecular formula C37H39F2N7OSi and a molecular weight of 663.85 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)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-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID163253538
Molecular FormulaC37H39F2N7OSi
Molecular Weight663.85 g/mol
Exact Mass663.30
IUPAC NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1nc2c(-c3cnn(C4CC4)c3)nc(-c3ccc(C(F)F)cc3)cn2n1
InChIInChI=1S/C37H39F2N7OSi/c1-25(24-47-48(37(2,3)4,30-11-7-5-8-12-30)31-13-9-6-10-14-31)41-36-43-35-33(28-21-40-45(22-28)29-19-20-29)42-32(23-46(35)44-36)26-15-17-27(18-16-26)34(38)39/h5-18,21-23,25,29,34H,19-20,24H2,1-4H3,(H,41,44)/t25-/m0/s1
InChIKeyDVWBPKZRCKVKSP-VWLOTQADSA-N
XLogP7.30
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.85
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
(2S)-2-[[8-(1-methylpyrazol-4-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
CID 163253509
5-(1-cyclobutylpyrazol-4-yl)-7-cyclohexyl-N-[(2S)-1-(difluoromethoxy)propan-2-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 137398600
tert-butyl-diphenyl-[[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]cyclohexyl]methoxy]silane
CID 162725493
(2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
CID 163253498
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
[2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid
CID 121378278
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(2S)-2-[methyl-[8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
CID 167014578
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane
CID 23370183

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)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-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 163253538) is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)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-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)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-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)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(C4CC4)c3)nc(-c3ccc(C(F)F)cc3)cn2n1.
What is the InChIKey of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is DVWBPKZRCKVKSP-VWLOTQADSA-N. The full InChI is InChI=1S/C37H39F2N7OSi/c1-25(24-47-48(37(2,3)4,30-11-7-5-8-12-30)31-13-9-6-10-14-31)41-36-43-35-33(28-21-40-45(22-28)29-19-20-29)42-32(23-46(35)44-36)26-15-17-27(18-16-26)34(38)39/h5-18,21-23,25,29,34H,19-20,24H2,1-4H3,(H,41,44)/t25-/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 663.85 g/mol, XLogP of 7.30, 11 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-cyclopropylpyrazol-4-yl)-6-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 163253538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).