tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate

C33H45N7O3Si — CID 71253706

IUPACtert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1ccc(-c2nn(COCC[Si](C)(C)C)c3cnc(-c4cccnc4)cc23)nc1N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C33H45N7O3Si/c1-23-10-11-27(37-31(23)39-15-12-25(13-16-39)36-32(41)43-33(2,3)4)30-26-19-28(24-9-8-14-34-20-24)35-21-29(26)40(38-30)22-42-17-18-44(5,6)7/h8-11,14,19-21,25H,12-13,15-18,22H2,1-7H3,(H,36,41)
InChIKeyCTCUDHNFEGQTCJ-UHFFFAOYSA-N
MW615.86 g/mol
LogP6.67
Rot. Bonds9

About tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 71253706) has the molecular formula C33H45N7O3Si and a molecular weight of 615.86 g/mol. Its IUPAC name is tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID71253706
Molecular FormulaC33H45N7O3Si
Molecular Weight615.86 g/mol
Exact Mass615.34
IUPAC Nametert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1ccc(-c2nn(COCC[Si](C)(C)C)c3cnc(-c4cccnc4)cc23)nc1N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C33H45N7O3Si/c1-23-10-11-27(37-31(23)39-15-12-25(13-16-39)36-32(41)43-33(2,3)4)30-26-19-28(24-9-8-14-34-20-24)35-21-29(26)40(38-30)22-42-17-18-44(5,6)7/h8-11,14,19-21,25H,12-13,15-18,22H2,1-7H3,(H,36,41)
InChIKeyCTCUDHNFEGQTCJ-UHFFFAOYSA-N
XLogP6.67
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.86
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate (CID 71253706) is tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate is Cc1ccc(-c2nn(COCC[Si](C)(C)C)c3cnc(-c4cccnc4)cc23)nc1N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is CTCUDHNFEGQTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N7O3Si/c1-23-10-11-27(37-31(23)39-15-12-25(13-16-39)36-32(41)43-33(2,3)4)30-26-19-28(24-9-8-14-34-20-24)35-21-29(26)40(38-30)22-42-17-18-44(5,6)7/h8-11,14,19-21,25H,12-13,15-18,22H2,1-7H3,(H,36,41).
What are the key properties of tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 615.86 g/mol, XLogP of 6.67, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 71253706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).