5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide

C32H43N7O3Si — CID 159317626

IUPAC5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCOCC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(CO[Si](C)(C)C(C)(C)C)CC3)n1
InChIInChI=1S/C32H43N7O3Si/c1-31(2,3)43(6,7)42-20-32(4)12-8-24-22(19-33)16-21(17-25(24)32)26-9-13-34-30(36-26)37-28-18-27(38-39(28)5)29(40)35-23-10-14-41-15-11-23/h9,13,16-18,23H,8,10-12,14-15,20H2,1-7H3,(H,35,40)(H,34,36,37)
InChIKeyLDIOEYBOBQTIIT-UHFFFAOYSA-N
MW601.83 g/mol
LogP5.63
Rot. Bonds8

About 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide

5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 159317626) has the molecular formula C32H43N7O3Si and a molecular weight of 601.83 g/mol. Its IUPAC name is 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID159317626
Molecular FormulaC32H43N7O3Si
Molecular Weight601.83 g/mol
Exact Mass601.32
IUPAC Name5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCOCC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(CO[Si](C)(C)C(C)(C)C)CC3)n1
InChIInChI=1S/C32H43N7O3Si/c1-31(2,3)43(6,7)42-20-32(4)12-8-24-22(19-33)16-21(17-25(24)32)26-9-13-34-30(36-26)37-28-18-27(38-39(28)5)29(40)35-23-10-14-41-15-11-23/h9,13,16-18,23H,8,10-12,14-15,20H2,1-7H3,(H,35,40)(H,34,36,37)
InChIKeyLDIOEYBOBQTIIT-UHFFFAOYSA-N
XLogP5.63
TPSA126.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.83
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide with MolForge

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Related Compounds

5-[[4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-2-fluoro-4-methyl-N-(oxolan-3-yl)benzamide
CID 147358618
1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[2-[[6-chloro-1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]pyrimidin-4-yl]-1-methyl-2,3-dihydroindene-4-carbonitrile
CID 153257640
CID 149365579
CID 149365579
tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-5-[2-[[1-methyl-5-(4-methylmorpholin-3-yl)pyrazol-3-yl]amino]pyrimidin-4-yl]-2H-indole-1-carboxylate
CID 153281685
5-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylpyrazole-3-carboxamide
CID 145428092
CID 153471855
CID 153471855
CID 153281585
CID 153281585
CID 153281637
CID 153281637
5-[2-[[1-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 70874158
CID 153281710
CID 153281710
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 153471941
CID 153281618
CID 153281618

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide (CID 159317626) is 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCOCC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(CO[Si](C)(C)C(C)(C)C)CC3)n1.
What is the InChIKey of 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is LDIOEYBOBQTIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O3Si/c1-31(2,3)43(6,7)42-20-32(4)12-8-24-22(19-33)16-21(17-25(24)32)26-9-13-34-30(36-26)37-28-18-27(38-39(28)5)29(40)35-23-10-14-41-15-11-23/h9,13,16-18,23H,8,10-12,14-15,20H2,1-7H3,(H,35,40)(H,34,36,37).
What are the key properties of 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide?
5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 601.83 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyano-3-methyl-1,2-dihydroinden-5-yl]pyrimidin-2-yl]amino]-1-methyl-N-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 159317626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).