N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide

C34H41FN6O3Si — CID 56591222

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC(O[Si](C)(C)C(C)(C)C)C(NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1
InChIInChI=1S/C34H41FN6O3Si/c1-34(2,3)45(5,6)44-30-14-16-40(20-25-26(35)8-7-9-29(25)43-4)21-28(30)37-33(42)22-10-12-27-24(18-22)32(39-38-27)23-11-13-31-36-15-17-41(31)19-23/h7-13,15,17-19,28,30H,14,16,20-21H2,1-6H3,(H,37,42)(H,38,39)
InChIKeyUDSOQCWAMOZOQI-UHFFFAOYSA-N
MW628.83 g/mol
LogP6.42
Rot. Bonds8

About N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide

N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide (PubChem CID 56591222) has the molecular formula C34H41FN6O3Si and a molecular weight of 628.83 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
PubChem CID56591222
Molecular FormulaC34H41FN6O3Si
Molecular Weight628.83 g/mol
Exact Mass628.30
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC(O[Si](C)(C)C(C)(C)C)C(NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1
InChIInChI=1S/C34H41FN6O3Si/c1-34(2,3)45(5,6)44-30-14-16-40(20-25-26(35)8-7-9-29(25)43-4)21-28(30)37-33(42)22-10-12-27-24(18-22)32(39-38-27)23-11-13-31-36-15-17-41(31)19-23/h7-13,15,17-19,28,30H,14,16,20-21H2,1-6H3,(H,37,42)(H,38,39)
InChIKeyUDSOQCWAMOZOQI-UHFFFAOYSA-N
XLogP6.42
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.83
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide (CID 56591222) is N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CCC(O[Si](C)(C)C(C)(C)C)C(NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The InChIKey is UDSOQCWAMOZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41FN6O3Si/c1-34(2,3)45(5,6)44-30-14-16-40(20-25-26(35)8-7-9-29(25)43-4)21-28(30)37-33(42)22-10-12-27-24(18-22)32(39-38-27)23-11-13-31-36-15-17-41(31)19-23/h7-13,15,17-19,28,30H,14,16,20-21H2,1-6H3,(H,37,42)(H,38,39).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide has a molecular weight of 628.83 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).