[(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate

C20H32N6O3Si — CID 175555145

IUPAC[(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate
SMILESCc1nnccc1Nc1cc(C2CC[C@H](OC(N)=O)C2)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C20H32N6O3Si/c1-14-17(7-8-22-24-14)23-19-12-18(15-5-6-16(11-15)29-20(21)27)26(25-19)13-28-9-10-30(2,3)4/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H2,21,27)(H,22,23,25)/t15?,16-/m0/s1
InChIKeyNYQDQAHAEVNLGM-LYKKTTPLSA-N
MW432.60 g/mol
LogP3.77
Rot. Bonds9

About [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate

[(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate (PubChem CID 175555145) has the molecular formula C20H32N6O3Si and a molecular weight of 432.60 g/mol. Its IUPAC name is [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate.

Molecular Properties

Compound Name[(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate
PubChem CID175555145
Molecular FormulaC20H32N6O3Si
Molecular Weight432.60 g/mol
Exact Mass432.23
IUPAC Name[(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate
SMILESCc1nnccc1Nc1cc(C2CC[C@H](OC(N)=O)C2)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C20H32N6O3Si/c1-14-17(7-8-22-24-14)23-19-12-18(15-5-6-16(11-15)29-20(21)27)26(25-19)13-28-9-10-30(2,3)4/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H2,21,27)(H,22,23,25)/t15?,16-/m0/s1
InChIKeyNYQDQAHAEVNLGM-LYKKTTPLSA-N
XLogP3.77
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate?
The IUPAC name of [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate (CID 175555145) is [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate.
What is the SMILES notation for [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate?
The canonical SMILES for [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate is Cc1nnccc1Nc1cc(C2CC[C@H](OC(N)=O)C2)n(COCC[Si](C)(C)C)n1.
What is the InChIKey of [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate?
The InChIKey is NYQDQAHAEVNLGM-LYKKTTPLSA-N. The full InChI is InChI=1S/C20H32N6O3Si/c1-14-17(7-8-22-24-14)23-19-12-18(15-5-6-16(11-15)29-20(21)27)26(25-19)13-28-9-10-30(2,3)4/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H2,21,27)(H,22,23,25)/t15?,16-/m0/s1.
What are the key properties of [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate?
[(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate has a molecular weight of 432.60 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate is sourced from PubChem (CID 175555145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).