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

C33H41FN6O3Si — CID 147358618

IUPAC5-[[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
SMILESCc1cc(F)c(C(=O)NC2CCOC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO[Si](C)(C)C(C)(C)C)CN3)n1
InChIInChI=1S/C33H41FN6O3Si/c1-20-12-26(34)24(30(41)38-23-9-11-42-17-23)15-28(20)40-31-36-10-8-27(39-31)21-13-22(16-35)29-25(14-21)33(5,18-37-29)19-43-44(6,7)32(2,3)4/h8,10,12-15,23,37H,9,11,17-19H2,1-7H3,(H,38,41)(H,36,39,40)/t23?,33-/m1/s1
InChIKeyDGULASZMEBALCZ-ISUGLZMOSA-N
MW616.81 g/mol
LogP6.43
Rot. Bonds8

About 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

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 (PubChem CID 147358618) has the molecular formula C33H41FN6O3Si and a molecular weight of 616.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID147358618
Molecular FormulaC33H41FN6O3Si
Molecular Weight616.81 g/mol
Exact Mass616.30
IUPAC Name5-[[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
SMILESCc1cc(F)c(C(=O)NC2CCOC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO[Si](C)(C)C(C)(C)C)CN3)n1
InChIInChI=1S/C33H41FN6O3Si/c1-20-12-26(34)24(30(41)38-23-9-11-42-17-23)15-28(20)40-31-36-10-8-27(39-31)21-13-22(16-35)29-25(14-21)33(5,18-37-29)19-43-44(6,7)32(2,3)4/h8,10,12-15,23,37H,9,11,17-19H2,1-7H3,(H,38,41)(H,36,39,40)/t23?,33-/m1/s1
InChIKeyDGULASZMEBALCZ-ISUGLZMOSA-N
XLogP6.43
TPSA121.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 56.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-2-fluoro-4-methyl-N-(oxetan-3-ylmethyl)benzamide
CID 130268435
(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
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
[7-cyano-5-[2-(5-cyano-2-methylanilino)pyrimidin-4-yl]-3-methyl-1,2-dihydroindol-3-yl]methyl methyl sulfate
CID 130270482
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-[[1-(2,2-difluoroethyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 145428287
(3R)-5-[2-(5-cyano-2-methylanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270640
CID 153471855
CID 153471855
3-(hydroxymethyl)-5-[2-[[2-methoxy-6-(2-methoxyethylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130268908
[(3R)-7-cyano-5-[2-(5-cyano-2-methylanilino)pyrimidin-4-yl]-3-methyl-1,2-dihydroindol-3-yl]methyl (2R)-2-amino-3-phenylpropanoate
CID 130271045
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
CID 153281637
CID 153281637
3-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-2-methylbenzoic acid
CID 130271098

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)c(C(=O)NC2CCOC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO[Si](C)(C)C(C)(C)C)CN3)n1.
What is the InChIKey of 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?
The InChIKey is DGULASZMEBALCZ-ISUGLZMOSA-N. The full InChI is InChI=1S/C33H41FN6O3Si/c1-20-12-26(34)24(30(41)38-23-9-11-42-17-23)15-28(20)40-31-36-10-8-27(39-31)21-13-22(16-35)29-25(14-21)33(5,18-37-29)19-43-44(6,7)32(2,3)4/h8,10,12-15,23,37H,9,11,17-19H2,1-7H3,(H,38,41)(H,36,39,40)/t23?,33-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 616.81 g/mol, XLogP of 6.43, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147358618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).