N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide

C30H45N7O3Si — CID 140749057

IUPACN-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
SMILESCc1cc(-c2ccnc(Nc3cnn(CCO[Si](C)(C)C(C)(C)C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C30H45N7O3Si/c1-21(2)40-26-19-36(20-26)29(38)32-16-24-10-9-23(15-22(24)3)27-11-12-31-28(35-27)34-25-17-33-37(18-25)13-14-39-41(7,8)30(4,5)6/h9-12,15,17-18,21,26H,13-14,16,19-20H2,1-8H3,(H,32,38)(H,31,34,35)
InChIKeyFJTAPMIGOCBILX-UHFFFAOYSA-N
MW579.82 g/mol
LogP5.73
Rot. Bonds11

About N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide

N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide (PubChem CID 140749057) has the molecular formula C30H45N7O3Si and a molecular weight of 579.82 g/mol. Its IUPAC name is N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
PubChem CID140749057
Molecular FormulaC30H45N7O3Si
Molecular Weight579.82 g/mol
Exact Mass579.34
IUPAC NameN-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
SMILESCc1cc(-c2ccnc(Nc3cnn(CCO[Si](C)(C)C(C)(C)C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C30H45N7O3Si/c1-21(2)40-26-19-36(20-26)29(38)32-16-24-10-9-23(15-22(24)3)27-11-12-31-28(35-27)34-25-17-33-37(18-25)13-14-39-41(7,8)30(4,5)6/h9-12,15,17-18,21,26H,13-14,16,19-20H2,1-8H3,(H,32,38)(H,31,34,35)
InChIKeyFJTAPMIGOCBILX-UHFFFAOYSA-N
XLogP5.73
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.82
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-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-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The IUPAC name of N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide (CID 140749057) is N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide.
What is the SMILES notation for N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The canonical SMILES for N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide is Cc1cc(-c2ccnc(Nc3cnn(CCO[Si](C)(C)C(C)(C)C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1.
What is the InChIKey of N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The InChIKey is FJTAPMIGOCBILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N7O3Si/c1-21(2)40-26-19-36(20-26)29(38)32-16-24-10-9-23(15-22(24)3)27-11-12-31-28(35-27)34-25-17-33-37(18-25)13-14-39-41(7,8)30(4,5)6/h9-12,15,17-18,21,26H,13-14,16,19-20H2,1-8H3,(H,32,38)(H,31,34,35).
What are the key properties of N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide has a molecular weight of 579.82 g/mol, XLogP of 5.73, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 140749057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).