N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide

C29H41N9O2Si — CID 59613365

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide
SMILES[C-]#[N+]c1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c3)cn2)cn1
InChIInChI=1S/C29H41N9O2Si/c1-29(2,3)41(5,6)40-13-11-32-28(39)22-9-12-38(20-22)24-17-34-25(37-27-19-35-26(30-4)18-36-27)14-23(24)33-16-21-8-7-10-31-15-21/h9,12,14,17-21,31H,7-8,10-11,13,15-16H2,1-3,5-6H3,(H,32,39)(H2,33,34,36,37)
InChIKeyGPPQNVIGYXPBHL-UHFFFAOYSA-N
MW575.79 g/mol
LogP5.12
Rot. Bonds11

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide (PubChem CID 59613365) has the molecular formula C29H41N9O2Si and a molecular weight of 575.79 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide
PubChem CID59613365
Molecular FormulaC29H41N9O2Si
Molecular Weight575.79 g/mol
Exact Mass575.32
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide
SMILES[C-]#[N+]c1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c3)cn2)cn1
InChIInChI=1S/C29H41N9O2Si/c1-29(2,3)41(5,6)40-13-11-32-28(39)22-9-12-38(20-22)24-17-34-25(37-27-19-35-26(30-4)18-36-27)14-23(24)33-16-21-8-7-10-31-15-21/h9,12,14,17-21,31H,7-8,10-11,13,15-16H2,1-3,5-6H3,(H,32,39)(H2,33,34,36,37)
InChIKeyGPPQNVIGYXPBHL-UHFFFAOYSA-N
XLogP5.12
TPSA122.38 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.79
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide (CID 59613365) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide is [C-]#[N+]c1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c3)cn2)cn1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide?
The InChIKey is GPPQNVIGYXPBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N9O2Si/c1-29(2,3)41(5,6)40-13-11-32-28(39)22-9-12-38(20-22)24-17-34-25(37-27-19-35-26(30-4)18-36-27)14-23(24)33-16-21-8-7-10-31-15-21/h9,12,14,17-21,31H,7-8,10-11,13,15-16H2,1-3,5-6H3,(H,32,39)(H2,33,34,36,37).
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide has a molecular weight of 575.79 g/mol, XLogP of 5.12, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[6-[(5-isocyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrole-3-carboxamide is sourced from PubChem (CID 59613365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).