N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

C60H78N18O6Si2 — CID 162081881

IUPACN-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1cc(OC)cc(N(Cc2ncn(CCO[Si](C)(C)C(C)(C)C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.COc1cc(OC)cc(N(Cc2nncn2CCO[Si](C)(C)C(C)(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/2C30H39N9O3Si/c1-30(2,3)43(7,8)42-12-11-38-20-32-27(36-38)19-39(22-13-23(40-5)15-24(14-22)41-6)28-10-9-25-29(35-28)34-26(17-31-25)21-16-33-37(4)18-21;1-30(2,3)43(7,8)42-12-11-38-20-32-36-28(38)19-39(22-13-23(40-5)15-24(14-22)41-6)27-10-9-25-29(35-27)34-26(17-31-25)21-16-33-37(4)18-21/h2*9-10,13-18,20H,11-12,19H2,1-8H3
InChIKeyZCLISAFOEIUQRZ-UHFFFAOYSA-N
MW1203.58 g/mol
LogP10.79
Rot. Bonds22

About N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 162081881) has the molecular formula C60H78N18O6Si2 and a molecular weight of 1203.58 g/mol. Its IUPAC name is N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID162081881
Molecular FormulaC60H78N18O6Si2
Molecular Weight1203.58 g/mol
Exact Mass1202.59
IUPAC NameN-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1cc(OC)cc(N(Cc2ncn(CCO[Si](C)(C)C(C)(C)C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.COc1cc(OC)cc(N(Cc2nncn2CCO[Si](C)(C)C(C)(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/2C30H39N9O3Si/c1-30(2,3)43(7,8)42-12-11-38-20-32-27(36-38)19-39(22-13-23(40-5)15-24(14-22)41-6)28-10-9-25-29(35-28)34-26(17-31-25)21-16-33-37(4)18-21;1-30(2,3)43(7,8)42-12-11-38-20-32-36-28(38)19-39(22-13-23(40-5)15-24(14-22)41-6)27-10-9-25-29(35-27)34-26(17-31-25)21-16-33-37(4)18-21/h2*9-10,13-18,20H,11-12,19H2,1-8H3
InChIKeyZCLISAFOEIUQRZ-UHFFFAOYSA-N
XLogP10.79
TPSA236.26 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.58
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (CID 162081881) is N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is COc1cc(OC)cc(N(Cc2ncn(CCO[Si](C)(C)C(C)(C)C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.COc1cc(OC)cc(N(Cc2nncn2CCO[Si](C)(C)C(C)(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.
What is the InChIKey of N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is ZCLISAFOEIUQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H39N9O3Si/c1-30(2,3)43(7,8)42-12-11-38-20-32-27(36-38)19-39(22-13-23(40-5)15-24(14-22)41-6)28-10-9-25-29(35-28)34-26(17-31-25)21-16-33-37(4)18-21;1-30(2,3)43(7,8)42-12-11-38-20-32-36-28(38)19-39(22-13-23(40-5)15-24(14-22)41-6)27-10-9-25-29(35-27)34-26(17-31-25)21-16-33-37(4)18-21/h2*9-10,13-18,20H,11-12,19H2,1-8H3.
What are the key properties of N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 1203.58 g/mol, XLogP of 10.79, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine;N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,2,4-triazol-3-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 162081881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).