N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine

C26H36FN7O2Si — CID 175698921

IUPACN-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCc1cc2nc(N[C@H](C)c3cc(F)cc4c3OC(CN=[N+]=[N-])(CO[Si](C)(C)C(C)(C)C)C4)ccn2n1
InChIInChI=1S/C26H36FN7O2Si/c1-8-20-13-23-31-22(9-10-34(23)32-20)30-17(2)21-12-19(27)11-18-14-26(15-29-33-28,36-24(18)21)16-35-37(6,7)25(3,4)5/h9-13,17H,8,14-16H2,1-7H3,(H,30,31)/t17-,26?/m1/s1
InChIKeyBODBQQDIAUTVIU-SIHBAMTISA-N
MW525.71 g/mol
LogP6.61
Rot. Bonds9

About N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine

N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 175698921) has the molecular formula C26H36FN7O2Si and a molecular weight of 525.71 g/mol. Its IUPAC name is N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID175698921
Molecular FormulaC26H36FN7O2Si
Molecular Weight525.71 g/mol
Exact Mass525.27
IUPAC NameN-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCc1cc2nc(N[C@H](C)c3cc(F)cc4c3OC(CN=[N+]=[N-])(CO[Si](C)(C)C(C)(C)C)C4)ccn2n1
InChIInChI=1S/C26H36FN7O2Si/c1-8-20-13-23-31-22(9-10-34(23)32-20)30-17(2)21-12-19(27)11-18-14-26(15-29-33-28,36-24(18)21)16-35-37(6,7)25(3,4)5/h9-13,17H,8,14-16H2,1-7H3,(H,30,31)/t17-,26?/m1/s1
InChIKeyBODBQQDIAUTVIU-SIHBAMTISA-N
XLogP6.61
TPSA109.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.71
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine with MolForge

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Related Compounds

(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
Trk-IN-6
CID 155668394
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-7-amine
CID 10208705
2,6-Dimethylphenyl {[7-(3-fluorophenyl)-7H-pyrazolo[4,3-E][1,2,4]triazolo[1,5-C]pyrimidin-2-YL]methyl} ether
CID 16012942
7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
CID 162664396
(11S)-6-fluoro-2,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene
CID 166626143
6-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70978082
(6R)-N-ethyl-9-fluoro-13-oxa-2,16,20,21,24-pentaazapentacyclo-[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18(25),19,22-heptaene-16-carboxamide
CID 86691739
(9S,11R)-3,11-difluoro-7-oxa-13,16,20,21,24-pentazapentacyclo[15.5.2.12,6.09,13.020,23]pentacosa-1(23),2,4,6(25),17(24),18,21-heptaene
CID 137014423
(9S)-3-fluoro-7-oxa-13,16,20,21,24-pentazapentacyclo[15.5.2.12,6.09,13.020,23]pentacosa-1(23),2,4,6(25),17(24),18,21-heptaene
CID 137014427
(9S,11S)-3,11-difluoro-7-oxa-13,16,20,21,24-pentazapentacyclo[15.5.2.12,6.09,13.020,23]pentacosa-1(23),2,4,6(25),17(24),18,21-heptaene
CID 137215040

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine (CID 175698921) is N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine is CCc1cc2nc(N[C@H](C)c3cc(F)cc4c3OC(CN=[N+]=[N-])(CO[Si](C)(C)C(C)(C)C)C4)ccn2n1.
What is the InChIKey of N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is BODBQQDIAUTVIU-SIHBAMTISA-N. The full InChI is InChI=1S/C26H36FN7O2Si/c1-8-20-13-23-31-22(9-10-34(23)32-20)30-17(2)21-12-19(27)11-18-14-26(15-29-33-28,36-24(18)21)16-35-37(6,7)25(3,4)5/h9-13,17H,8,14-16H2,1-7H3,(H,30,31)/t17-,26?/m1/s1.
What are the key properties of N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 525.71 g/mol, XLogP of 6.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(azidomethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3H-1-benzofuran-7-yl]ethyl]-2-ethylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 175698921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).