N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride

C64H96Cl2N14O6Si2 — CID 158042711

IUPACN-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride
SMILESCc1ccc2c(-c3cnc4c(n3)c(C(=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)cn4C)n[nH]c2c1.Cc1ccc2c(-c3cnc4c(n3)c(C(=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)cn4C)nn(CCN3CCOCC3)c2c1.Cl.ClCCN1CCOCC1
InChIInChI=1S/C32H47N7O3Si.C26H36N6O2Si.C6H12ClNO.ClH/c1-22-10-11-23-26(18-22)39(13-12-38-14-16-41-17-15-38)36-27(23)25-19-33-29-28(34-25)24(20-37(29)7)30(40)35-32(5,6)21-42-43(8,9)31(2,3)4;1-16-10-11-17-19(12-16)30-31-21(17)20-13-27-23-22(28-20)18(14-32(23)7)24(33)29-26(5,6)15-34-35(8,9)25(2,3)4;7-1-2-8-3-5-9-6-4-8;/h10-11,18-20H,12-17,21H2,1-9H3,(H,35,40);10-14H,15H2,1-9H3,(H,29,33)(H,30,31);1-6H2;1H
InChIKeyOZYAGMUHSNFXFU-UHFFFAOYSA-N
MW1284.64 g/mol
LogP11.49
Rot. Bonds17

About N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride

N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride (PubChem CID 158042711) has the molecular formula C64H96Cl2N14O6Si2 and a molecular weight of 1284.64 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride.

Molecular Properties

Compound NameN-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride
PubChem CID158042711
Molecular FormulaC64H96Cl2N14O6Si2
Molecular Weight1284.64 g/mol
Exact Mass1282.66
IUPAC NameN-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride
SMILESCc1ccc2c(-c3cnc4c(n3)c(C(=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)cn4C)n[nH]c2c1.Cc1ccc2c(-c3cnc4c(n3)c(C(=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)cn4C)nn(CCN3CCOCC3)c2c1.Cl.ClCCN1CCOCC1
InChIInChI=1S/C32H47N7O3Si.C26H36N6O2Si.C6H12ClNO.ClH/c1-22-10-11-23-26(18-22)39(13-12-38-14-16-41-17-15-38)36-27(23)25-19-33-29-28(34-25)24(20-37(29)7)30(40)35-32(5,6)21-42-43(8,9)31(2,3)4;1-16-10-11-17-19(12-16)30-31-21(17)20-13-27-23-22(28-20)18(14-32(23)7)24(33)29-26(5,6)15-34-35(8,9)25(2,3)4;7-1-2-8-3-5-9-6-4-8;/h10-11,18-20H,12-17,21H2,1-9H3,(H,35,40);10-14H,15H2,1-9H3,(H,29,33)(H,30,31);1-6H2;1H
InChIKeyOZYAGMUHSNFXFU-UHFFFAOYSA-N
XLogP11.49
TPSA209.52 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms88
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001284.64
LogP ≤ 511.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride?
The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride (CID 158042711) is N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride.
What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride?
The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride is Cc1ccc2c(-c3cnc4c(n3)c(C(=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)cn4C)n[nH]c2c1.Cc1ccc2c(-c3cnc4c(n3)c(C(=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)cn4C)nn(CCN3CCOCC3)c2c1.Cl.ClCCN1CCOCC1.
What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride?
The InChIKey is OZYAGMUHSNFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N7O3Si.C26H36N6O2Si.C6H12ClNO.ClH/c1-22-10-11-23-26(18-22)39(13-12-38-14-16-41-17-15-38)36-27(23)25-19-33-29-28(34-25)24(20-37(29)7)30(40)35-32(5,6)21-42-43(8,9)31(2,3)4;1-16-10-11-17-19(12-16)30-31-21(17)20-13-27-23-22(28-20)18(14-32(23)7)24(33)29-26(5,6)15-34-35(8,9)25(2,3)4;7-1-2-8-3-5-9-6-4-8;/h10-11,18-20H,12-17,21H2,1-9H3,(H,35,40);10-14H,15H2,1-9H3,(H,29,33)(H,30,31);1-6H2;1H.
What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride?
N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride has a molecular weight of 1284.64 g/mol, XLogP of 11.49, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(2-chloroethyl)morpholine;hydrochloride is sourced from PubChem (CID 158042711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).