N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C28H39N5O4SSi — CID 169276156

IUPACN-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)[Si](C)(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)n1
InChIInChI=1S/C28H39N5O4SSi/c1-20(2)39(6,7)19-37-25-15-16-33(30-25)24-14-13-23(26(29-24)32-18-21(3)17-28(32,4)5)27(34)31-38(35,36)22-11-9-8-10-12-22/h8-16,20-21H,17-19H2,1-7H3,(H,31,34)/t21-/m0/s1
InChIKeyMSRWSXAVBIGHCQ-NRFANRHFSA-N
MW569.80 g/mol
LogP5.05
Rot. Bonds9

About N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 169276156) has the molecular formula C28H39N5O4SSi and a molecular weight of 569.80 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID169276156
Molecular FormulaC28H39N5O4SSi
Molecular Weight569.80 g/mol
Exact Mass569.25
IUPAC NameN-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)[Si](C)(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)n1
InChIInChI=1S/C28H39N5O4SSi/c1-20(2)39(6,7)19-37-25-15-16-33(30-25)24-14-13-23(26(29-24)32-18-21(3)17-28(32,4)5)27(34)31-38(35,36)22-11-9-8-10-12-22/h8-16,20-21H,17-19H2,1-7H3,(H,31,34)/t21-/m0/s1
InChIKeyMSRWSXAVBIGHCQ-NRFANRHFSA-N
XLogP5.05
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.80
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 169276156) is N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)[Si](C)(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)n1.
What is the InChIKey of N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is MSRWSXAVBIGHCQ-NRFANRHFSA-N. The full InChI is InChI=1S/C28H39N5O4SSi/c1-20(2)39(6,7)19-37-25-15-16-33(30-25)24-14-13-23(26(29-24)32-18-21(3)17-28(32,4)5)27(34)31-38(35,36)22-11-9-8-10-12-22/h8-16,20-21H,17-19H2,1-7H3,(H,31,34)/t21-/m0/s1.
What are the key properties of N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 569.80 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 169276156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).